| Year |
Citation |
Score |
| 2022 |
Workman RJ, Gorle S, Pettitt BM. Effects of Conformational Constraint on Peptide Solubility Limits. The Journal of Physical Chemistry. B. PMID 36450134 DOI: 10.1021/acs.jpcb.2c06458 |
0.754 |
|
| 2021 |
Workman RJ, Pettitt BM. Thermodynamic Compensation in Peptides Following Liquid-Liquid Phase Separation. The Journal of Physical Chemistry. B. PMID 34110175 DOI: 10.1021/acs.jpcb.1c02093 |
0.753 |
|
| 2020 |
Pettitt BM, Schwartz BJ, Sterpone F, Túri L, Willard AP. Tribute to Peter J. Rossky. The Journal of Physical Chemistry. B. 124: 10591-10593. PMID 33233898 DOI: 10.1021/acs.jpcb.0c09810 |
0.621 |
|
| 2020 |
Yu B, Pettitt BM, Iwahara J. Dynamics of Ionic Interactions at Protein-Nucleic Acid Interfaces. Accounts of Chemical Research. PMID 32845610 DOI: 10.1021/Acs.Accounts.0C00212 |
0.313 |
|
| 2020 |
Lai CL, Chen C, Ou SC, Prentiss M, Pettitt BM. Interactions between identical DNA double helices. Physical Review. E. 101: 032414. PMID 32289903 DOI: 10.1103/Physreve.101.032414 |
0.328 |
|
| 2020 |
Bores C, Pettitt BM. Structure and the role of filling rate on model dsDNA packed in a phage capsid. Physical Review. E. 101: 012406. PMID 32069548 DOI: 10.1103/Physreve.101.012406 |
0.325 |
|
| 2020 |
Seckfort D, Lynch GC, Pettitt BM. The lac repressor hinge helix in context: The effect of the DNA binding domain and symmetry. Biochimica Et Biophysica Acta. General Subjects. 129538. PMID 31958546 DOI: 10.1016/J.Bbagen.2020.129538 |
0.305 |
|
| 2019 |
Yu B, Pettitt BM, Iwahara J. Experimental Evidence of Solvent-Separated Ion Pairs as Metastable States in Electrostatic Interactions of Biological Macromolecules. The Journal of Physical Chemistry Letters. PMID 31809050 DOI: 10.1021/Acs.Jpclett.9B03084 |
0.349 |
|
| 2019 |
Ou SC, Pettitt BM. Correction to "Free Energy Calculations Based on Coupling Proximal Distribution Functions and Thermodynamic Cycles". Journal of Chemical Theory and Computation. PMID 31539243 DOI: 10.1021/Acs.Jctc.9B00927 |
0.304 |
|
| 2019 |
Ou S, Pettitt BM. Free Energy Calculations Based on Coupling Proximal Distribution Functions and Thermodynamic Cycles. Journal of Chemical Theory and Computation. PMID 30768893 DOI: 10.1021/Acs.Jctc.8B01157 |
0.356 |
|
| 2019 |
Seckfort D, Pettitt BM. Price of disorder in the lac repressor hinge helix Biopolymers. 110. PMID 30485404 DOI: 10.1002/Bip.23239 |
0.301 |
|
| 2018 |
Drake JA, Pettitt BM. Thermodynamics of Conformational Transitions in a Disordered Protein Backbone Model. Biophysical Journal. 114: 2799-2810. PMID 29925017 DOI: 10.1016/J.Bpj.2018.04.027 |
0.349 |
|
| 2017 |
Asthagiri D, Karandur D, Tomar DS, Pettitt BM. Intramolecular Interactions Overcome Hydration to Drive the Collapse Transition of Gly15. The Journal of Physical Chemistry. B. PMID 28774177 DOI: 10.1021/Acs.Jpcb.7B05469 |
0.313 |
|
| 2017 |
Myers CG, Pettitt BM. Phage-like packing structures with mean field sequence dependence. Journal of Computational Chemistry. PMID 28349552 DOI: 10.1002/Jcc.24727 |
0.316 |
|
| 2016 |
Ou S, Drake JA, Pettitt BM. Nonpolar Solvation Free Energy from Proximal Distribution Functions. The Journal of Physical Chemistry. B. PMID 27992228 DOI: 10.1021/Acs.Jpcb.6B09528 |
0.391 |
|
| 2016 |
Drake JA, Harris RC, Pettitt BM. Solvation Thermodynamics of Oligoglycine with Respect to Chain Length and Flexibility. Biophysical Journal. 111: 756-67. PMID 27558719 DOI: 10.1016/J.Bpj.2016.07.013 |
0.351 |
|
| 2016 |
Dyer KM, Perkyns JS, Pettitt BM. Dielectric behavior for saline solutions from renormalized diagrammatically proper interaction site model theory. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 28: 414006. PMID 27546725 DOI: 10.1088/0953-8984/28/41/414006 |
0.772 |
|
| 2016 |
Harris RC, Pettitt BM. Reconciling the understanding of 'hydrophobicity' with physics-based models of proteins. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 28: 083003. PMID 26836518 DOI: 10.1088/0953-8984/28/8/083003 |
0.373 |
|
| 2015 |
Tomar DS, Weber V, Pettitt BM, Asthagiri D. Importance of Hydrophilic Hydration and Intramolecular Interactions in the Thermodynamics of Helix-Coil Transition and Helix-Helix Assembly in a Deca-Alanine Peptide. The Journal of Physical Chemistry. B. PMID 26649757 DOI: 10.1021/Acs.Jpcb.5B09881 |
0.317 |
|
| 2015 |
Chen C, Esadze A, Zandarashvili L, Nguyen D, Pettitt BM, Iwahara J. Dynamic Equilibria of Short-Range Electrostatic Interactions at Molecular Interfaces of Protein-DNA Complexes. The Journal of Physical Chemistry Letters. 6: 2733-2737. PMID 26207171 DOI: 10.1021/Acs.Jpclett.5B01134 |
0.363 |
|
| 2015 |
Karandur D, Harris RC, Pettitt BM. Protein collapse driven against solvation free energy without H-bonds. Protein Science : a Publication of the Protein Society. PMID 26174309 DOI: 10.1002/Pro.2749 |
0.324 |
|
| 2015 |
Zhang C, Lai CL, Pettitt BM. Computation of virial coefficients from integral equations. The Journal of Chemical Physics. 142: 214110. PMID 26049482 DOI: 10.1063/1.4921790 |
0.318 |
|
| 2015 |
Drake JA, Pettitt BM. Force field-dependent solution properties of glycine oligomers. Journal of Computational Chemistry. 36: 1275-85. PMID 25952623 DOI: 10.1002/Jcc.23934 |
0.351 |
|
| 2015 |
Wang Q, Myers CG, Pettitt BM. Twist-induced defects of the P-SSP7 genome revealed by modeling the cryo-EM density. The Journal of Physical Chemistry. B. 119: 4937-43. PMID 25793549 DOI: 10.1021/Acs.Jpcb.5B00865 |
0.308 |
|
| 2015 |
Dyer KM, Perkyns JS, Pettitt BM. Solubility Limits in Lennard-Jones Mixtures: Effects of Disparate Molecule Geometries. The Journal of Physical Chemistry. B. 119: 9450-9. PMID 25621892 DOI: 10.1021/Jp512992N |
0.748 |
|
| 2014 |
Harris RC, Drake JA, Pettitt BM. Multibody correlations in the hydrophobic solvation of glycine peptides. The Journal of Chemical Physics. 141: 22D525. PMID 25494796 DOI: 10.1063/1.4901886 |
0.345 |
|
| 2014 |
Harris RC, Pettitt BM. Effects of geometry and chemistry on hydrophobic solvation. Proceedings of the National Academy of Sciences of the United States of America. 111: 14681-6. PMID 25258413 DOI: 10.1073/Pnas.1406080111 |
0.35 |
|
| 2014 |
Karandur D, Wong KY, Pettitt BM. Solubility and aggregation of Gly(5) in water. The Journal of Physical Chemistry. B. 118: 9565-72. PMID 25019618 DOI: 10.1021/Jp503358N |
0.356 |
|
| 2014 |
Tomar DS, Weber V, Pettitt BM, Asthagiri D. Conditional solvation thermodynamics of isoleucine in model peptides and the limitations of the group-transfer model. The Journal of Physical Chemistry. B. 118: 4080-7. PMID 24650057 DOI: 10.1021/Jp500727U |
0.351 |
|
| 2014 |
Truchon JF, Pettitt BM, Labute P. A Cavity Corrected 3D-RISM Functional for Accurate Solvation Free Energies. Journal of Chemical Theory and Computation. 10: 934-941. PMID 24634616 DOI: 10.1021/Ct4009359 |
0.362 |
|
| 2014 |
Wang Q, Pettitt BM. Modeling DNA thermodynamics under torsional stress. Biophysical Journal. 106: 1182-93. PMID 24606942 DOI: 10.1016/J.Bpj.2014.01.022 |
0.33 |
|
| 2014 |
Karandur D, Wong K, Pettitt BM. Protein Folding and Collapse: Thermodynamics of Aggregation of Gly5 vs Concentration in Solution Biophysical Journal. 106: 483a. DOI: 10.1016/J.Bpj.2013.11.2730 |
0.352 |
|
| 2013 |
Dyer KM, Pettitt BM. Proximal distributions from angular correlations: a measure of the onset of coarse-graining. The Journal of Chemical Physics. 139: 214111. PMID 24320368 DOI: 10.1063/1.4832895 |
0.745 |
|
| 2013 |
Myers CG, Pettitt BM. Communication: Origin of the contributions to DNA structure in phages. The Journal of Chemical Physics. 138: 071103. PMID 23444988 DOI: 10.1063/1.4791708 |
0.33 |
|
| 2011 |
Howard JJ, Pettitt BM. Integral equations in the study of polar and ionic interaction site fluids. Journal of Statistical Physics. 145: 441-466. PMID 22383857 DOI: 10.1007/S10955-011-0260-5 |
0.356 |
|
| 2011 |
Chen C, Pettitt BM. The binding process of a nonspecific enzyme with DNA. Biophysical Journal. 101: 1139-47. PMID 21889451 DOI: 10.1016/J.Bpj.2011.07.016 |
0.336 |
|
| 2011 |
Ambia-Garrido J, Vainrub A, Pettitt BM. Free energy considerations for nucleic acids with dangling ends near a surface: a coarse grained approach. Journal of Physics: Condensed Matter. 23: 325101-325101. PMID 21743128 DOI: 10.1088/0953-8984/23/32/325101 |
0.313 |
|
| 2011 |
Kokubo H, Hu CY, Pettitt BM. Peptide conformational preferences in osmolyte solutions: transfer free energies of decaalanine. Journal of the American Chemical Society. 133: 1849-58. PMID 21250690 DOI: 10.1021/Ja1078128 |
0.384 |
|
| 2011 |
Howard JJ, Lynch GC, Pettitt BM. Ion and solvent density distributions around canonical B-DNA from integral equations. The Journal of Physical Chemistry. B. 115: 547-56. PMID 21190358 DOI: 10.1021/Jp107383S |
0.402 |
|
| 2011 |
Lin B, Pettitt BM. Electrostatic solvation free energy of amino acid side chain analogs: implications for the validity of electrostatic linear response in water. Journal of Computational Chemistry. 32: 878-85. PMID 20941733 DOI: 10.1002/Jcc.21668 |
0.342 |
|
| 2010 |
Ambia-Garrido J, Vainrub A, Pettitt BM. A model for Structure and Thermodynamics of ssDNA and dsDNA Near a Surface: a Coarse Grained Approach. Computer Physics Communications. 181: 2001-2007. PMID 20957064 DOI: 10.1016/J.Cpc.2010.08.029 |
0.356 |
|
| 2010 |
Hu CY, Kokubo H, Lynch GC, Bolen DW, Pettitt BM. Backbone additivity in the transfer model of protein solvation. Protein Science : a Publication of the Protein Society. 19: 1011-22. PMID 20306490 DOI: 10.1002/Pro.378 |
0.352 |
|
| 2010 |
Perkyns JS, Lynch GC, Howard JJ, Pettitt BM. Protein solvation from theory and simulation: Exact treatment of Coulomb interactions in three-dimensional theories. The Journal of Chemical Physics. 132: 064106. PMID 20151732 DOI: 10.1063/1.3299277 |
0.44 |
|
| 2010 |
Hu CY, Lynch GC, Kokubo H, Pettitt BM. Trimethylamine N-oxide influence on the backbone of proteins: an oligoglycine model. Proteins. 78: 695-704. PMID 19790265 DOI: 10.1002/Prot.22598 |
0.351 |
|
| 2010 |
Chen C, Pettitt BM. Free Energy Landscape of Nonspecific Protein-DNA Encounter Biophysical Journal. 98: 75a. DOI: 10.1016/J.Bpj.2009.12.424 |
0.322 |
|
| 2009 |
Dyer KM, Perkyns JS, Stell G, Pettitt BM. Site-renormalised molecular fluid theory: on the utility of a two-site model of water. Molecular Physics. 107: 423-431. PMID 19920881 DOI: 10.1080/00268970902845313 |
0.753 |
|
| 2009 |
Feng J, Wong KY, Dyer K, Pettitt BM. Transport properties of water at functionalized molecular interfaces. The Journal of Chemical Physics. 131: 125102. PMID 19791920 DOI: 10.1063/1.3224122 |
0.743 |
|
| 2009 |
Randall GL, Zechiedrich L, Pettitt BM. In the absence of writhe, DNA relieves torsional stress with localized, sequence-dependent structural failure to preserve B-form. Nucleic Acids Research. 37: 5568-77. PMID 19586933 DOI: 10.1093/Nar/Gkp556 |
0.3 |
|
| 2009 |
Feng J, Wong KY, Lynch GC, Gao X, Pettitt BM. Salt effects on surface-tethered peptides in solution. The Journal of Physical Chemistry. B. 113: 9472-8. PMID 19548651 DOI: 10.1021/Jp902537F |
0.322 |
|
| 2009 |
Chen C, Krause K, Pettitt BM. Advantage of being a dimer for Serratia marcescens endonuclease. The Journal of Physical Chemistry. B. 113: 511-21. PMID 19053714 DOI: 10.1021/Jp8057838 |
0.364 |
|
| 2009 |
Kokubo H, Hu C, Pettitt BM. 1TP3-07 Peptide conformational preferences in different solutions analyzed by transfer free energy calculations(The 47th Annual Meeting of the Biophysical Society of Japan) Seibutsu Butsuri. 49: S35. DOI: 10.2142/Biophys.49.S35_2 |
0.309 |
|
| 2009 |
Pettitt BM, Gadre SR, Matcha RL. Theoretical compton profile anisotropics in molecules and solids. VIII. Vibrational, rotational, and temperature-dependent diatomic alkali halide anisotropics International Journal of Quantum Chemistry. 18: 697-706. DOI: 10.1002/Qua.560180871 |
0.707 |
|
| 2008 |
Dyer KM, Perkyns JS, Stell G, Pettitt BM. A molecular site-site integral equation that yields the dielectric constant. The Journal of Chemical Physics. 129: 104512. PMID 19044929 DOI: 10.1063/1.2976580 |
0.765 |
|
| 2008 |
Wong KY, Pettitt BM. The pathway of oligomeric DNA melting investigated by molecular dynamics simulations. Biophysical Journal. 95: 5618-26. PMID 18952784 DOI: 10.1529/Biophysj.108.141010 |
0.328 |
|
| 2007 |
Dyer K, Perkyns J, Pettitt B, Stell G. An angle dependent site-renormalized theory for the conformations of n-butane in a simple fluid. Condensed Matter Physics / Institute For Condensed Matter Physics of the National Academy of Sciences of Ukraine. 10: 331-342. PMID 20664717 DOI: 10.5488/Cmp.10.3.331 |
0.76 |
|
| 2007 |
Dyer KM, Perkyns JS, Pettitt BM. A site-renormalized molecular fluid theory. The Journal of Chemical Physics. 127: 194506. PMID 18035891 DOI: 10.1063/1.2785188 |
0.757 |
|
| 2007 |
Kokubo H, Rösgen J, Bolen DW, Pettitt BM. Molecular basis of the apparent near ideality of urea solutions. Biophysical Journal. 93: 3392-407. PMID 17693466 DOI: 10.1529/Biophysj.107.114181 |
0.365 |
|
| 2007 |
Kokubo H, Pettitt BM. Preferential solvation in urea solutions at different concentrations: properties from simulation studies. The Journal of Physical Chemistry. B. 111: 5233-42. PMID 17447807 DOI: 10.1021/Jp067659X |
0.357 |
|
| 2007 |
Marucho M, Pettitt BM. Optimized theory for simple and molecular fluids Journal of Chemical Physics. 126. PMID 17411108 DOI: 10.1063/1.2711205 |
0.374 |
|
| 2007 |
Weksberg TE, Lynch GC, Krause KL, Pettitt BM. Molecular dynamics simulations of Trichomonas vaginalis ferredoxin show a loop-cap transition. Biophysical Journal. 92: 3337-45. PMID 17325017 DOI: 10.1529/Biophysj.106.088096 |
0.33 |
|
| 2007 |
Dyer KM, Pettitt BM, Stell G. Systematic investigation of theories of transport in the Lennard-Jones fluid. The Journal of Chemical Physics. 126: 034502. PMID 17249879 DOI: 10.1063/1.2424714 |
0.729 |
|
| 2007 |
Chen C, Beck BW, Krause K, Weksberg TE, Pettitt BM. Effects of dimerization of Serratia marcescens endonuclease on water dynamics. Biopolymers. 85: 241-52. PMID 17133507 DOI: 10.1002/Bip.20641 |
0.352 |
|
| 2007 |
Dyer K, Perkyns J, Pettitt B, Steli G. An angle dependent site-renormalized theory for the conformations of n-butane in a simple fluid Condensed Matter Physics. 10: 331-342. |
0.727 |
|
| 2006 |
Chen C, Beck BW, Krause K, Pettitt BM. Solvent participation in Serratia marcescens endonuclease complexes. Proteins. 62: 982-95. PMID 16355414 DOI: 10.1002/Prot.20694 |
0.351 |
|
| 2005 |
Choudhury N, Pettitt BM. Dynamics of water trapped between hydrophobic solutes. The Journal of Physical Chemistry. B. 109: 6422-9. PMID 16851715 DOI: 10.1021/Jp045439I |
0.376 |
|
| 2005 |
Dyer KM, Perkyns JS, Pettitt BM. Effective density terms in proper integral equations. The Journal of Chemical Physics. 123: 204512. PMID 16351286 DOI: 10.1063/1.2116987 |
0.758 |
|
| 2005 |
Rösgen J, Pettitt BM, Bolen DW. Protein folding, stability, and solvation structure in osmolyte solutions. Biophysical Journal. 89: 2988-97. PMID 16113118 DOI: 10.1529/Biophysj.105.067330 |
0.307 |
|
| 2005 |
Dyer KM, Perkyns JS, Pettitt BM. Simple bond length dependence: a correspondence between reactive fluid theories. The Journal of Chemical Physics. 122: 236101. PMID 16008496 DOI: 10.1063/1.1893829 |
0.747 |
|
| 2004 |
Wong KY, Pettitt BM. Orientation of DNA on a surface from simulation. Biopolymers. 73: 570-8. PMID 15048781 DOI: 10.1002/Bip.20004 |
0.304 |
|
| 2004 |
Wong KY, Vainrub A, Powdrill T, Hogan M, Pettitt BM. A non-Watson-Crick motif of base-pairing on surfaces for untethered oligonucleotides Molecular Simulation. 30: 121-129. DOI: 10.1080/0892702031000152181 |
0.324 |
|
| 2004 |
Rösgen J, Pettitt BM, Perkyns J, Bolen DW. Statistical Thermodynamic Approach to the Chemical Activities in Two-Component Solutions Journal of Physical Chemistry B. 108: 2048-2055. DOI: 10.1021/Jp036325U |
0.313 |
|
| 2004 |
Lakhno VD, Sultanov VB, Pettitt BM. Combined hopping-superexchange model of a hole transfer in DNA Chemical Physics Letters. 400: 47-53. DOI: 10.1016/J.Cplett.2004.10.077 |
0.308 |
|
| 2003 |
Vainrub A, Pettitt BM. Surface electrostatic effects in oligonucleotide microarrays: control and optimization of binding thermodynamics. Biopolymers. 68: 265-70. PMID 12548628 DOI: 10.1002/Bip.10271 |
0.329 |
|
| 2003 |
Marlow GE, Pettitt BM. Simulation of the bis-(penicillamine) enkephalin in ammonium chloride solution: a comparison with sodium chloride. Biopolymers. 68: 192-209. PMID 12548623 DOI: 10.1002/Bip.10292 |
0.334 |
|
| 2002 |
Makarov V, Pettitt BM, Feig M. Solvation and hydration of proteins and nucleic acids: a theoretical view of simulation and experiment. Accounts of Chemical Research. 35: 376-84. PMID 12069622 DOI: 10.1021/Ar0100273 |
0.596 |
|
| 2002 |
Swint-Kruse L, Larson C, Pettitt BM, Matthews KS. Fine-tuning function: correlation of hinge domain interactions with functional distinctions between LacI and PurR. Protein Science : a Publication of the Protein Society. 11: 778-94. PMID 11910022 DOI: 10.1110/Ps.4050102 |
0.323 |
|
| 2002 |
Dyer K, Perkyns J, Pettitt BM. Computationally useful bridge diagram series. III. Lennard-Jones mixtures Journal of Chemical Physics. 116: 9413-9421. DOI: 10.1063/1.1473661 |
0.75 |
|
| 2002 |
Perkyns JS, Dyer KM, Pettitt BM. Computationally useful bridge diagram series. II. Diagrams in h-bonds Journal of Chemical Physics. 116: 9404-9412. DOI: 10.1063/1.1473660 |
0.746 |
|
| 2001 |
Feig M, Zacharias M, Pettitt BM. Conformations of an adenine bulge in a DNA octamer and its influence on DNA structure from molecular dynamics simulations. Biophysical Journal. 81: 352-70. PMID 11423420 DOI: 10.1016/S0006-3495(01)75705-0 |
0.585 |
|
| 2001 |
Dyer KM, Perkyns JS, Pettitt BM. A reexamination of virial coefficients of the Lennard-Jones fluid Theoretical Chemistry Accounts. 105: 244-251. DOI: 10.1007/S002140000205 |
0.743 |
|
| 2000 |
Makarov VA, Andrews BK, Smith PE, Pettitt BM. Residence times of water molecules in the hydration sites of myoglobin. Biophysical Journal. 79: 2966-74. PMID 11106604 DOI: 10.1016/S0006-3495(00)76533-7 |
0.496 |
|
| 2000 |
Vainrub A, Pettitt BM. Thermodynamics of association to a molecule immobilized in an electric double layer Chemical Physics Letters. 323: 160-166. DOI: 10.1016/S0009-2614(00)00512-1 |
0.332 |
|
| 1999 |
Feig M, Pettitt BM. Sodium and chlorine ions as part of the DNA solvation shell. Biophysical Journal. 77: 1769-81. PMID 10512802 DOI: 10.1016/S0006-3495(99)77023-2 |
0.551 |
|
| 1999 |
Prabhu NV, Perkyns JS, Pettitt BM, Hruby VJ. Structure and dynamics of alpha-MSH using DRISM integral equation theory and stochastic dynamics. Biopolymers. 50: 255-72. PMID 10397788 DOI: 10.1002/(Sici)1097-0282(199909)50:3<255::Aid-Bip3>3.0.Co;2-V |
0.385 |
|
| 1999 |
Prabhu NV, Perkyns JS, Blatt HD, Smith PE, Pettitt BM. Comparison of the potentials of mean force for alanine tetrapeptide between integral equation theory and simulation. Biophysical Chemistry. 78: 113-26. PMID 10343385 DOI: 10.1016/S0301-4622(99)00014-9 |
0.559 |
|
| 1999 |
Feig M, Pettitt BM. Modeling high-resolution hydration patterns in correlation with DNA sequence and conformation. Journal of Molecular Biology. 286: 1075-95. PMID 10047483 DOI: 10.1006/Jmbi.1998.2486 |
0.537 |
|
| 1999 |
Feig M, Abdullah M, Johnsson L, Pettitt BM. Large scale distributed data repository: Design of a molecular dynamics trajectory database Future Generation Computer Systems. 16: 101-110. DOI: 10.1016/S0167-739X(99)00039-4 |
0.529 |
|
| 1999 |
Lynch GC, Perkyns JS, Pettitt BM. Kirkwood-Buff Thermodynamics Derived from Grand Canonical Molecular Dynamics and DRISM Calculations Journal of Computational Physics. 151: 135-145. DOI: 10.1006/Jcph.1998.6183 |
0.424 |
|
| 1998 |
Feig M, Pettitt BM. A molecular simulation picture of DNA hydration around A- and B-DNA. Biopolymers. 48: 199-209. PMID 10699840 DOI: 10.1002/(Sici)1097-0282(1998)48:4<199::Aid-Bip2>3.0.Co;2-5 |
0.521 |
|
| 1998 |
Feig M, Pettitt BM. Crystallographic water sites from a theoretical perspective. Structure (London, England : 1993). 6: 1351-4. PMID 9817850 DOI: 10.1016/S0969-2126(98)00135-X |
0.543 |
|
| 1998 |
Makarov VA, Feig M, Andrews BK, Pettitt BM. Diffusion of solvent around biomolecular solutes: a molecular dynamics simulation study. Biophysical Journal. 75: 150-8. PMID 9649375 DOI: 10.1016/S0006-3495(98)77502-2 |
0.574 |
|
| 1998 |
Feig M, Pettitt BM. Structural equilibrium of DNA represented with different force fields. Biophysical Journal. 75: 134-49. PMID 9649374 DOI: 10.1016/S0006-3495(98)77501-0 |
0.561 |
|
| 1998 |
Andrews BK, Romo T, Clarage JB, Pettitt BM, Phillips GN. Characterizing global substates of myoglobin. Structure (London, England : 1993). 6: 587-94. PMID 9634696 DOI: 10.1016/S0969-2126(98)00060-4 |
0.328 |
|
| 1998 |
Pettitt BM, Makarov VA, Andrews BK. Protein hydration density: theory, simulations and crystallography. Current Opinion in Structural Biology. 8: 218-21. PMID 9631296 DOI: 10.1016/S0959-440X(98)80042-0 |
0.352 |
|
| 1998 |
Swint-Kruse L, Matthews KS, Smith PE, Pettitt BM. Comparison of simulated and experimentally determined dynamics for a variant of the Lacl DNA-binding domain, Nlac-P. Biophysical Journal. 74: 413-21. PMID 9449341 DOI: 10.1016/S0006-3495(98)77798-7 |
0.494 |
|
| 1997 |
Smith PE, Blatt HD, Pettitt BM. A simple two-dimensional representation for the common secondary structural elements of polypeptides and proteins. Proteins. 27: 227-34. PMID 9061787 DOI: 10.1002/(Sici)1097-0134(19970201)27:2<227::Aid-Prot9>3.0.Co;2-C |
0.464 |
|
| 1997 |
Lynch GC, Pettitt BM. Grand canonical ensemble molecular dynamics simulations: Reformulation of extended system dynamics approaches Journal of Chemical Physics. 107: 8594-8610. DOI: 10.1063/1.475012 |
0.374 |
|
| 1997 |
Feig M, Pettitt BM. Experiment vs force fields: DNA conformation from molecular dynamics simulations Journal of Physical Chemistry B. 101: X-7363. DOI: 10.1021/Jp971180A |
0.511 |
|
| 1997 |
Smith PE, Blatt HD, Pettitt BM. On the Presence of Rotational Ewald Artifacts in the Equilibrium and Dynamical Properties of a Zwitterionic Tetrapeptide in Aqueous Solution The Journal of Physical Chemistry B. 101: 3886-3890. DOI: 10.1021/Jp9637643 |
0.444 |
|
| 1997 |
Smith PE, Blatt HD, Pettitt BM. Environmentally dependent conformational preferences of peptides Journal of the American Chemical Society. 119: 8714-8715. DOI: 10.1021/Ja963752V |
0.329 |
|
| 1997 |
Perkyns J, Pettitt BM. Computationally useful bridge diagram series for the structure and thermodynamics of Lennard-Jones fluids Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta). 96: 61-70. DOI: 10.1007/S002140050205 |
0.381 |
|
| 1997 |
Micu AM, Bagheri B, Ilin AV, Scott R, Pettitt B. Numerical Considerations in the Computation of the Electrostatic Free Energy of Interaction within the Poisson–Boltzmann Theory Journal of Computational Physics. 136: 263-271. DOI: 10.1006/Jcph.1997.5707 |
0.384 |
|
| 1996 |
Smith PE, Pettitt BM. Ewald artifacts in liquid state molecular dynamics simulations The Journal of Chemical Physics. 105: 4289-4293. DOI: 10.1063/1.472246 |
0.527 |
|
| 1996 |
Yang L, Pettitt BM. B to A Transition of DNA on the Nanosecond Time Scale The Journal of Physical Chemistry. 100: 2564-2566. DOI: 10.1021/Jp953080F |
0.311 |
|
| 1995 |
Weerasinghe S, Smith PE, Pettitt BM. Structure and stability of a model pyrimidine-purine-purine DNA triple helix with a GC.T mismatch by simulation. Biochemistry. 34: 16269-78. PMID 8845351 DOI: 10.1021/Bi00050A006 |
0.437 |
|
| 1995 |
Yang L, Weerasinghe S, Smith PE, Pettitt BM. Dielectric response of triplex DNA in ionic solution from simulations. Biophysical Journal. 69: 1519-27. PMID 8534822 DOI: 10.1016/S0006-3495(95)80022-6 |
0.443 |
|
| 1995 |
Cheng YK, Pettitt BM. Solvent effects on model d(CG.G)7 and d(TA.T)7 DNA triple helices. Biopolymers. 35: 457-73. PMID 7766818 DOI: 10.1002/Bip.360350505 |
0.366 |
|
| 1995 |
Weerasinghe S, Smith PE, Mohan V, Cheng Y, Pettitt BM. Nanosecond Dynamics and Structure of a Model DNA Triple Helix in Saltwater Solution Journal of the American Chemical Society. 117: 2147-2158. DOI: 10.1021/Ja00113A004 |
0.482 |
|
| 1995 |
Smith PE, Pettitt BM. Efficient Ewald electrostatic calculations for large systems Computer Physics Communications. 91: 339-344. DOI: 10.1016/0010-4655(95)00058-N |
0.467 |
|
| 1995 |
Chen Z, Pettitt B. Non-isotropic solution of an OZ equation: matrix methods for integral equations Computer Physics Communications. 85: 239-250. DOI: 10.1016/0010-4655(94)00146-S |
0.332 |
|
| 1994 |
Lounnas V, Pettitt BM. Distribution function implied dynamics versus residence times and correlations: solvation shells of myoglobin. Proteins. 18: 148-60. PMID 8159664 DOI: 10.1002/Prot.340180207 |
0.384 |
|
| 1994 |
Lounnas V, Pettitt BM. A connected-cluster of hydration around myoglobin: correlation between molecular dynamics simulations and experiment. Proteins. 18: 133-47. PMID 8159663 DOI: 10.1002/Prot.340180206 |
0.376 |
|
| 1994 |
Weerasinghe S, Pettitt BM. Ideal chemical potential contribution in molecular dynamics simulations of the grand canonical ensemble Molecular Physics. 82: 897-912. DOI: 10.1080/00268979400100654 |
0.339 |
|
| 1994 |
Ji J, Pettitt B. Phase transitions of water at constant excess chemical potential An application of grand molecular dynamics Molecular Physics. 82: 67-83. DOI: 10.1080/00268979400100064 |
0.346 |
|
| 1994 |
Valdeavella CV, Perkyns JS, Pettitt BM. Investigations into the common ion effect The Journal of Chemical Physics. 101: 5093-5109. DOI: 10.1063/1.467365 |
0.304 |
|
| 1994 |
Smith PE, Pettitt BM. Modeling Solvent in Biomolecular Systems The Journal of Physical Chemistry. 98: 9700-9711. DOI: 10.1021/J100090A002 |
0.425 |
|
| 1994 |
Cannon WR, Pettitt BM, McCammon JA. Sulfate Anion in Water: Model Structural, Thermodynamic, and Dynamic Properties The Journal of Physical Chemistry. 98: 6225-6230. DOI: 10.1021/J100075A027 |
0.473 |
|
| 1994 |
McCammon J, Pettitt B, Scott L. Ordinary differential equations of molecular dynamics Computers & Mathematics With Applications. 28: 319-326. DOI: 10.1016/0898-1221(94)00199-5 |
0.376 |
|
| 1993 |
Mohan V, Cheng YK, Marlow GE, Pettitt BM. Molecular recognition of Watson-Crick base-pair reversals in triple-helix formation: use of nonnatural oligonucleotide bases. Biopolymers. 33: 1317-25. PMID 8400029 DOI: 10.1002/Bip.360330902 |
0.374 |
|
| 1993 |
Mohan V, Smith PE, Pettitt BM. Evidence for a new spine of hydration: solvation of DNA triple helixes Journal of the American Chemical Society. 115: 9297-9298. DOI: 10.1021/Ja00073A059 |
0.344 |
|
| 1993 |
Smith PE, Marlow GE, Pettitt BM. Peptides in ionic solutions: a simulation study of a bis(penicillamine) enkephalin in sodium acetate solution Journal of the American Chemical Society. 115: 7493-7498. DOI: 10.1021/Ja00069A057 |
0.483 |
|
| 1993 |
Mohan V, Smith PE, Pettitt BM. Molecular dynamics simulation of ions and water around triplex DNA The Journal of Physical Chemistry. 97: 12984-12990. DOI: 10.1021/J100151A055 |
0.483 |
|
| 1993 |
Smith PE, Pettitt BM, Karplus M. Stochastic dynamics simulations of the alanine dipeptide using a solvent-modified potential energy surface The Journal of Physical Chemistry. 97: 6907-6913. DOI: 10.1021/J100128A027 |
0.656 |
|
| 1993 |
Marlow GE, Perkyns JS, Pettitt BM. Salt effects in peptide solutions: theory and simulations Chemical Reviews. 93: 2503-2521. DOI: 10.1021/Cr00023A009 |
0.323 |
|
| 1992 |
O'Connor SD, Smith PE, al-Obeidi F, Pettitt BM. Quenched molecular dynamics simulations of tuftsin and proposed cyclic analogues. Journal of Medicinal Chemistry. 35: 2870-81. PMID 1495018 DOI: 10.1021/Jm00093A021 |
0.514 |
|
| 1992 |
Smith PE, Pettitt BM. Amino acid side-chain populations in aqueous and saline solution: Bis- penicillamine enkephalin Biopolymers. 32: 1623-1629. PMID 1472647 DOI: 10.1002/Bip.360321205 |
0.43 |
|
| 1992 |
Perkyns J, Pettitt BM. A site–site theory for finite concentration saline solutions The Journal of Chemical Physics. 97: 7656-7666. DOI: 10.1063/1.463485 |
0.363 |
|
| 1992 |
Ji J, Çaǧin T, Pettitt BM. Dynamic simulations of water at constant chemical potential The Journal of Chemical Physics. 96: 1333-1342. DOI: 10.1063/1.462169 |
0.376 |
|
| 1992 |
Dang LX, Pettitt BM, Rossky PJ. On the correlation between like ion pairs in water The Journal of Chemical Physics. 96: 4046-4047. DOI: 10.1063/1.461859 |
0.649 |
|
| 1992 |
Lounnas V, Pettitt BM, Findsen L, Subramaniam S. A microscopic view of protein solvation The Journal of Physical Chemistry. 96: 7157-7159. DOI: 10.1021/J100197A004 |
0.353 |
|
| 1992 |
Mohan V, Davis ME, McCammon JA, Pettitt BM. Continuum model calculations of solvation free energies: accurate evaluation of electrostatic contributions The Journal of Physical Chemistry. 96: 6428-6431. DOI: 10.1021/j100194a060 |
0.393 |
|
| 1991 |
Pettitt BM, Matsunaga T, al-Obeidi F, Gehrig C, Hruby VJ, Karplus M. Dynamical search for bis-penicillamine enkephalin conformations. Biophysical Journal. 60: 1540-4. PMID 1777571 DOI: 10.1016/S0006-3495(91)82188-9 |
0.529 |
|
| 1991 |
Smith PE, al-Obeidi F, Pettitt BM. Aspects of the design of conformationally constrained peptides. Methods in Enzymology. 202: 411-36. PMID 1664477 DOI: 10.1016/0076-6879(91)02021-Z |
0.403 |
|
| 1991 |
Çagin T, Pettitt BM. Grand Molecular Dynamics: A Method for Open Systems Molecular Simulation. 6: 5-26. DOI: 10.1080/08927029108022137 |
0.329 |
|
| 1991 |
Mazor M, Pettitt BM. Convergence of the Chemical Potential in Aqueous simulations Molecular Simulation. 6: 1-4. DOI: 10.1080/08927029108022136 |
0.413 |
|
| 1991 |
Çağin T, Pettitt BM. Molecular dynamics with a variable number of molecules Molecular Physics. 72: 169-175. DOI: 10.1080/00268979100100111 |
0.32 |
|
| 1991 |
Smith PE, Pettitt BM. Peptides in ionic solutions: A comparison of the Ewald and switching function techniques The Journal of Chemical Physics. 95: 8430-8441. DOI: 10.1063/1.461272 |
0.444 |
|
| 1991 |
Smith PE, Pettitt BM. Effects of salt on the structure and dynamics of the bis(penicillamine) enkephalin zwitterion: a simulation study Journal of the American Chemical Society. 113: 6029-6037. DOI: 10.1021/Ja00016A015 |
0.472 |
|
| 1991 |
Yu HA, Karplus M, Pettitt BM. Aqueous solvation of N-methylacetamide conformers: comparison of simulations and integral equation theories Journal of the American Chemical Society. 113: 2425-2434. DOI: 10.1021/Ja00007A012 |
0.588 |
|
| 1991 |
Smith PE, Dang LX, Pettitt BM. Simulation of the structure and dynamics of the bis(penicillamine) enkephalin zwitterion Journal of the American Chemical Society. 113: 67-73. DOI: 10.1021/Ja00001A013 |
0.468 |
|
| 1990 |
Ramé GL, Lau WF, Pettitt BM. Flexibility of tripeptides in solution: free energy molecular mechanics. International Journal of Peptide and Protein Research. 35: 315-27. PMID 2345054 DOI: 10.1111/J.1399-3011.1990.Tb00056.X |
0.387 |
|
| 1990 |
Van Vlijmen HW, Ramé GL, Pettitt BM. A study of model energetics and conformational properties of polynucleotide triplexes. Biopolymers. 30: 517-32. PMID 2265226 DOI: 10.1002/bip.360300505 |
0.76 |
|
| 1990 |
Dang LX, Pettitt BM. A theoretical study of like ion pairs in solution The Journal of Physical Chemistry. 94: 4303-4308. DOI: 10.1021/J100373A078 |
0.301 |
|
| 1989 |
Çain T, Pettitt BM. Elastic constants of nickel: Variations with respect to temperature and pressure. Physical Review B. 39: 12484-12491. PMID 9948114 DOI: 10.1103/Physrevb.39.12484 |
0.312 |
|
| 1989 |
Lau WF, Pettitt BM. Selective elimination of interactions: a method for assessing thermodynamic contributions to ligand binding with application to rhinovirus antivirals. Journal of Medicinal Chemistry. 32: 2542-7. PMID 2555511 DOI: 10.1021/Jm00132A008 |
0.301 |
|
| 1989 |
Madura JD, Pettitt BM, McCammon JA. Methods for calculating geometries of transition states in solution Chemical Physics. 129: 185-191. DOI: 10.1016/0301-0104(89)80003-5 |
0.604 |
|
| 1988 |
Madura JD, Pettitt BM, Calef DF. Water under high pressure Molecular Physics. 64: 325-336. DOI: 10.1080/00268978800100253 |
0.54 |
|
| 1988 |
Chen Z, Karim OA, Pettitt BM. A theory of the interionic structure of graphite intercalation synthetic metals: Variations with respect to interactions and state The Journal of Chemical Physics. 89: 1042-1048. DOI: 10.1063/1.455255 |
0.323 |
|
| 1988 |
Dang LX, Pettitt BM. A theoretical study of the inclusion complexes of β‐quinol The Journal of Chemical Physics. 89: 968-974. DOI: 10.1063/1.455166 |
0.318 |
|
| 1988 |
Hruby VJ, Kao LF, Pettitt BM, Karplus M. The conformational properties of the delta opioid peptide [cyclic] [D-pen2,D-pen5]enkephalin in aqueous solution determined by NMR and energy minimization calculations Journal of the American Chemical Society. 110: 3351-3359. DOI: 10.1021/Ja00219A002 |
0.544 |
|
| 1988 |
Pettitt BM, Karplus M. Conformational free energy of hydration for the alanine dipeptide: thermodynamic analysis The Journal of Physical Chemistry. 92: 3994-3997. DOI: 10.1021/J100324A061 |
0.552 |
|
| 1988 |
Madura JD, Pettitt BM. Effects of truncating long-range interactions in aqueous ionic solution simulations Chemical Physics Letters. 150: 105-108. DOI: 10.1016/0009-2614(88)80404-4 |
0.633 |
|
| 1988 |
HRUBY VJ, KAO L, PETTITT BM, KARPLUS M. ChemInform Abstract: Conformational Properties of the Delta Opioid Peptide Cyclic(D-Pen2,D-Pen5)enkephalin in Aqueous Solution Determined by NMR and Energy Minimization Calculations. Cheminform. 19. DOI: 10.1002/chin.198838055 |
0.494 |
|
| 1987 |
Karplus M, Ichiye T, Pettitt BM. Configurational entropy of native proteins. Biophysical Journal. 52: 1083-5. PMID 3427197 DOI: 10.1016/S0006-3495(87)83303-9 |
0.496 |
|
| 1987 |
Dang LX, Pettitt BM. Simple intramolecular model potentials for water The Journal of Physical Chemistry. 91: 3349-3354. DOI: 10.1021/J100296A048 |
0.373 |
|
| 1987 |
Pettitt BM, Calef DF. On the structure of high-density water at constant temperature The Journal of Physical Chemistry. 91: 1541-1545. DOI: 10.1021/J100290A050 |
0.341 |
|
| 1987 |
Karim OA, Pettitt B. Two-dimensional fluids in a periodic external potential: Intercalation in graphite Chemical Physics Letters. 137: 72-77. DOI: 10.1016/0009-2614(87)80306-8 |
0.337 |
|
| 1987 |
Madura JD, Pettitt BM, McCammon JA. Geometric considerations in the calculation of relative free energies of activation Chemical Physics Letters. 141: 83-87. DOI: 10.1016/0009-2614(87)80096-9 |
0.623 |
|
| 1986 |
Pettitt BM, Rossky PJ. Alkali halides in water: Ion–solvent correlations and ion–ion potentials of mean force at infinite dilution The Journal of Chemical Physics. 84: 5836-5844. DOI: 10.1063/1.449894 |
0.68 |
|
| 1986 |
Pettitt BM, Karplus M, Rossky PJ. Integral equation model for aqueous solvation of polyatomic solutes: application to the determination of the free energy surface for the internal motion of biomolecules The Journal of Physical Chemistry. 90: 6335-6345. DOI: 10.1021/J100281A055 |
0.719 |
|
| 1985 |
Brooks CL, Pettitt BM, Karplus M. Structural and energetic effects of truncating long ranged interactions in ionic and polar fluids The Journal of Chemical Physics. 83: 5897-5908. DOI: 10.1063/1.449621 |
0.68 |
|
| 1985 |
Pettitt BM, Karplus M. The potential of mean force between polyatomic molecules in polar molecular solvents The Journal of Chemical Physics. 83: 781-789. DOI: 10.1063/1.449493 |
0.595 |
|
| 1985 |
Pettitt BM, Karplus M. Role of electrostatics in the structure, energy and dynamics of biomolecules: a model study of N-methylalanylacetamide Journal of the American Chemical Society. 107: 1166-1173. DOI: 10.1021/Ja00291A014 |
0.554 |
|
| 1985 |
PETTITT BM, KARPLUS M. ChemInform Abstract: ROLE OF ELECTROSTATICS IN THE STRUCTURE, ENERGY AND DYNAMICS OF BIOMOLECULES: A MODEL STUDY OF N-METHYLALANYLACETAMIDE Chemischer Informationsdienst. 16. DOI: 10.1002/chin.198529077 |
0.505 |
|
| 1983 |
Rossky PJ, Pettitt BM, Stell G. The coupling of long and short range correlations in ISM liquids Molecular Physics. 50: 1263-1271. DOI: 10.1080/00268978300103021 |
0.672 |
|
| 1983 |
Hirata F, Rossky PJ, Pettitt BM. The interionic potential of mean force in a molecular polar solvent from an extended RISM equation The Journal of Chemical Physics. 78: 4133-4144. DOI: 10.1063/1.445090 |
0.679 |
|
| 1983 |
Pettitt BM, Rossky PJ. The contribution of hydrogen bonding to the structure of liquid methanol The Journal of Chemical Physics. 78: 7296-7299. DOI: 10.1063/1.444719 |
0.685 |
|
| 1983 |
PETTITT BM, ROSSKY PJ. ChemInform Abstract: THE CONTRIBUTION OF HYDROGEN BONDING TO THE STRUCTURE OF LIQUID METHANOL Chemischer Informationsdienst. 14. DOI: 10.1002/chin.198337054 |
0.588 |
|
| 1982 |
Pettitt BM, Rossky PJ. Integral equation predictions of liquid state structure for waterlike intermolecular potentials The Journal of Chemical Physics. 77: 1451-1457. DOI: 10.1063/1.443972 |
0.683 |
|
| 1982 |
Hirata F, Pettitt BM, Rossky PJ. Application of an extended RISM equation to dipolar and quadrupolar fluids The Journal of Chemical Physics. 77: 509-520. DOI: 10.1063/1.443606 |
0.703 |
|
| Low-probability matches (unlikely to be authored by this person) |
| 2019 |
Nassar OM, Wong KY, Lynch GC, Smith TJ, Pettitt BM. Allosteric Discrimination at the NADH/ADP Regulatory Site of Glutamate Dehydrogenase. Protein Science : a Publication of the Protein Society. PMID 31610054 DOI: 10.1002/Pro.3748 |
0.299 |
|
| 2004 |
Kelley CT, Pettitt BM. A fast solver for the Ornstein-Zernike equations Journal of Computational Physics. 197: 491-501. DOI: 10.1016/J.Jcp.2003.12.006 |
0.299 |
|
| 2010 |
Pettitt BM. DNA Melting Induced by Temperature and Mechanical Strain Biophysical Journal. 98: 470a. DOI: 10.1016/J.Bpj.2009.12.2558 |
0.299 |
|
| 1995 |
Stenland C, Pettitt BM. Binary-Solution Critical Opalescence: Mole Fraction versus Temperature Phase Diagram Journal of Chemical Education. 72: 560. DOI: 10.1021/Ed072P560 |
0.298 |
|
| 2002 |
Vainrub A, Pettitt BM. Coulomb blockage of hybridization in two-dimensional DNA arrays. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 66: 041905. PMID 12443233 DOI: 10.1103/Physreve.66.041905 |
0.296 |
|
| 2018 |
Nassar OM, Li C, Stanley CA, Pettitt BM, Smith TJ. Glutamate Dehydrogenase: Structure of a Hyperinsulinism Mutant, Corrections to the Atomic model, and Insights into a Regulatory Site. Proteins. PMID 30367518 DOI: 10.1002/Prot.25620 |
0.294 |
|
| 2020 |
Drake JA, Pettitt BM. Physical Chemistry of the Protein Backbone: Enabling the Mechanisms of Intrinsic Protein Disorder. The Journal of Physical Chemistry. B. PMID 32349480 DOI: 10.1021/Acs.Jpcb.0C02489 |
0.293 |
|
| 2009 |
Hu CY, Pettitt BM, Roesgen J. Osmolyte solutions and protein folding. F1000 Biology Reports. 1: 41. PMID 19960095 DOI: 10.3410/B1-41 |
0.293 |
|
| 2012 |
Fogg JM, Randall GL, Pettitt BM, Sumners de WL, Harris SA, Zechiedrich L. Bullied no more: when and how DNA shoves proteins around. Quarterly Reviews of Biophysics. 45: 257-99. PMID 22850561 DOI: 10.1017/S0033583512000054 |
0.292 |
|
| 2019 |
Kemme CA, Luu RH, Chen C, Pletka CC, Pettitt BM, Iwahara J. The Mobility of Histidine Side Chains Analyzed with N NMR Relaxation and Cross-Correlation Data: Insight into Zinc-Finger - DNA Interactions. The Journal of Physical Chemistry. B. PMID 30963768 DOI: 10.1021/Acs.Jpcb.9B03132 |
0.292 |
|
| 1999 |
Valdeavella CV, Blatt HD, Yang L, Pettitt BM. Hydration effects on the electrostatic potential around tuftsin. Biopolymers. 50: 133-43. PMID 10380337 DOI: 10.1002/(SICI)1097-0282(199908)50:2<133::AID-BIP2>3.0.CO;2-C |
0.286 |
|
| 2017 |
Wang Q, Irobalieva RN, Chiu W, Schmid MF, Fogg JM, Zechiedrich L, Pettitt BM. Influence of DNA sequence on the structure of minicircles under torsional stress. Nucleic Acids Research. PMID 28609782 DOI: 10.1093/Nar/Gkx516 |
0.286 |
|
| 1995 |
Perkyns JS, Pettitt BM. Peptide Conformations are Restricted by Solution Stability The Journal of Physical Chemistry. 99: 1-2. DOI: 10.1021/J100001A001 |
0.282 |
|
| 2016 |
Chen C, Pettitt BM. DNA Shape versus Sequence Variations in the Protein Binding Process. Biophysical Journal. 110: 534-544. PMID 26840719 DOI: 10.1016/J.Bpj.2015.11.3527 |
0.281 |
|
| 2002 |
Fofanov Y, Pettitt BM. Reconstruction of the genetic regulatory dynamics of the rat spinal cord development: local invariants approach. Journal of Biomedical Informatics. 35: 343-51. PMID 12968783 DOI: 10.1016/S1532-0464(03)00035-2 |
0.281 |
|
| 2006 |
Guo CY, Pettitt BM, Wheeler LT. Force field comparisons of the heat capacity of carbon nanotubes Molecular Simulation. 32: 839-848. DOI: 10.1080/08927020600962956 |
0.281 |
|
| 2001 |
Prabhu NV, Siddiqui SA, McMurray JS, Pettitt BM. Structural basis for the activity of pp60(c-src) protein tyrosine kinase inhibitors. Biopolymers. 59: 167-79. PMID 11391566 DOI: 10.1002/1097-0282(200109)59:3<167::Aid-Bip1016>3.0.Co;2-L |
0.281 |
|
| 1992 |
Kouri DJ, Zhu W, Ma X, Pettitt BM, Hoffman DK. Monte Carlo evaluation of real-time Feynman path integrals for quantal many-body dynamics: distributed approximating functions and Gaussian sampling The Journal of Physical Chemistry. 96: 9622-9630. DOI: 10.1021/J100203A013 |
0.28 |
|
| 2014 |
Zhang C, Pettitt BM. Computation of high-order virial coefficients in high-dimensional hard-sphere fluids by Mayer sampling Molecular Physics. 112: 1427-1447. DOI: 10.1080/00268976.2014.904945 |
0.278 |
|
| 2021 |
Yousefi R, Lynch GC, Galbraith M, Pettitt BM. Contributions of higher-order proximal distribution functions to solvent structure around proteins. The Journal of Chemical Physics. 155: 104110. PMID 34525817 DOI: 10.1063/5.0062580 |
0.278 |
|
| 2000 |
Wong KY, Pettitt BM. A new boundary condition for computer simulations of interfacial systems Chemical Physics Letters. 326: 193-198. DOI: 10.1016/S0009-2614(00)00760-0 |
0.277 |
|
| 2011 |
Lin B, Pettitt BM. Note: On the universality of proximal radial distribution functions of proteins. The Journal of Chemical Physics. 134: 106101. PMID 21405193 DOI: 10.1063/1.3565035 |
0.275 |
|
| 2005 |
Kurzak J, Pettitt BM. Communications overlapping in fast multipole particle dynamics methods Journal of Computational Physics. 203: 731-743. DOI: 10.1016/J.Jcp.2004.09.012 |
0.275 |
|
| 1988 |
Lau WF, Pettitt BM, Lybrand TP. Molecular Dynamics of Coat Proteins of the Human Rhinovirus Molecular Simulation. 1: 385-398. DOI: 10.1080/08927028808080960 |
0.272 |
|
| 2006 |
Randall GL, Pettitt BM, Buck GR, Zechiedrich EL. Electrostatics of DNA-DNA juxtapositions: consequences for type II topoisomerase function. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 18: S173-S185. PMID 19088861 DOI: 10.1088/0953-8984/18/14/S03 |
0.271 |
|
| 1992 |
Cheng YK, Pettitt BM. Hoogsteen versus reversed-Hoogsteen base pairing: DNA triple helixes Journal of the American Chemical Society. 114: 4465-4474. DOI: 10.1021/Ja00038A004 |
0.271 |
|
| 2008 |
Howard JJ, Perkyns JS, Choudhury N, Pettitt BM. An Integral Equation Study of the Hydrophobic Interaction between Graphene Plates. Journal of Chemical Theory and Computation. 4: 1928-1939. PMID 19262740 DOI: 10.1021/ct8002817 |
0.27 |
|
| 2022 |
Chen C, Yu B, Yousefi R, Iwahara J, Pettitt BM. Assessment of the Components of the Electrostatic Potential of Proteins in Solution: Comparing Experiment and Theory. The Journal of Physical Chemistry. B. 126: 4543-4554. PMID 35696448 DOI: 10.1021/acs.jpcb.2c01611 |
0.264 |
|
| 2003 |
Vainrub A, Pettitt BM. Sensitive quantitative nucleic acid detection using oligonucleotide microarrays. Journal of the American Chemical Society. 125: 7798-9. PMID 12822987 DOI: 10.1021/Ja035020Q |
0.264 |
|
| 1989 |
Al-Obeidi F, Hadley ME, Pettitt BM, Hruby VJ. Design of a new class of superpotent cyclic .alpha.-melanotropins based on quenched dynamic simulations Journal of the American Chemical Society. 111: 3413-3416. DOI: 10.1021/Ja00191A044 |
0.26 |
|
| 2008 |
Marucho M, Kelley CT, Pettitt BM. Solutions of the Optimized Closure Integral Equation Theory: Heteronuclear Polyatomic Fluids. Journal of Chemical Theory and Computation. 4: 385-396. PMID 19234594 DOI: 10.1021/Ct700202H |
0.259 |
|
| 2004 |
Vainrub A, Pettitt BM. Theoretical aspects of genomic variation screening using DNA microarrays. Biopolymers. 73: 614-20. PMID 15048785 DOI: 10.1002/Bip.20008 |
0.259 |
|
| 2021 |
Yu B, Pletka CC, Pettitt BM, Iwahara J. De novo determination of near-surface electrostatic potentials by NMR. Proceedings of the National Academy of Sciences of the United States of America. 118. PMID 34161285 DOI: 10.1073/pnas.2104020118 |
0.257 |
|
| 2021 |
Yu B, Pletka CC, Pettitt BM, Iwahara J. De novo determination of near-surface electrostatic potentials by NMR. Proceedings of the National Academy of Sciences of the United States of America. 118. PMID 34161285 DOI: 10.1073/pnas.2104020118 |
0.257 |
|
| 2006 |
Choudhury N, Pettitt BM. Enthalpy-entropy contributions to the potential of mean force of nanoscopic hydrophobic solutes. The Journal of Physical Chemistry. B. 110: 8459-63. PMID 16623532 DOI: 10.1021/jp056909r |
0.257 |
|
| 2013 |
Harrison A, Binder H, Buhot A, Burden CJ, Carlon E, Gibas C, Gamble LJ, Halperin A, Hooyberghs J, Kreil DP, Levicky R, Noble PA, Ott A, Pettitt BM, Tautz D, et al. Physico-chemical foundations underpinning microarray and next-generation sequencing experiments. Nucleic Acids Research. 41: 2779-96. PMID 23307556 DOI: 10.1093/Nar/Gks1358 |
0.257 |
|
| 1994 |
Perkyns J, Pettitt BM. Integral equation approaches to structure and thermodynamics of aqueous salt solutions. Biophysical Chemistry. 51: 129-42; discussion 1. PMID 7919031 |
0.255 |
|
| 2011 |
Lin B, Wong KY, Hu C, Kokubo H, Pettitt BM. Fast Calculations of Electrostatic Solvation Free Energy from Reconstructed Solvent Density using proximal Radial Distribution Functions. The Journal of Physical Chemistry Letters. 2: 1626-1632. PMID 21765968 DOI: 10.1021/jz200609v |
0.254 |
|
| 2005 |
Kurzak J, Pettitt BM. Massively parallel implementation of a fast multipole method for distributed memory machines Journal of Parallel and Distributed Computing. 65: 870-881. DOI: 10.1016/J.Jpdc.2005.02.001 |
0.254 |
|
| 2008 |
Kurzak J, Pettitt BM. Message-passing implementation of the data diffusion communication model in fast multipole methods: large scale biomolecular simulations. Journal of Algorithms & Computational Technology. 2: 557-579. PMID 19789722 DOI: 10.1260/174830108786231722 |
0.252 |
|
| 2016 |
Ou S, Pettitt BM. Solute-Solvent Energetics Based on Proximal Distribution Functions. The Journal of Physical Chemistry. B. PMID 27095487 DOI: 10.1021/acs.jpcb.6b01898 |
0.251 |
|
| 2016 |
Bates D, Pettitt BM, Buck GR, Zechiedrich L. Importance of disentanglement and entanglement during DNA replication and segregation: Comment on: "Disentangling DNA molecules" by Alexander Vologodskii. Physics of Life Reviews. PMID 27666770 DOI: 10.1016/J.Plrev.2016.09.004 |
0.251 |
|
| 2015 |
Lichti CF, Mostovenko E, Wadsworth PA, Lynch GC, Pettitt BM, Sulman EP, Wang Q, Lang FF, Rezeli M, Marko-Varga G, Végvári Á, Nilsson CL. Systematic identification of single amino acid variants in glioma stem-cell-derived chromosome 19 proteins. Journal of Proteome Research. 14: 778-86. PMID 25399873 DOI: 10.1021/Pr500810G |
0.249 |
|
| 2008 |
Vekilov PG, Galkin O, Pettitt BM, Choudhury N, Nagel RL. Determination of the transition-state entropy for aggregation suggests how the growth of sickle cell hemoglobin polymers can be slowed. Journal of Molecular Biology. 377: 882-8. PMID 18280499 DOI: 10.1016/J.Jmb.2008.01.025 |
0.247 |
|
| 1994 |
Perkyns J, Pettitt BM. On the Solubility of Aqueous Electrolytes The Journal of Physical Chemistry. 98: 5147-5151. DOI: 10.1021/J100070A034 |
0.245 |
|
| 1994 |
Lounnas V, Pettitt BM, Phillips GN. A global model of the protein-solvent interface. Biophysical Journal. 66: 601-14. PMID 8011893 |
0.244 |
|
| 2008 |
Ambia-Garrido J, Pettitt BM. Free Energy Calculations for DNA Near Surfaces Using an Ellipsoidal Geometry. Communications in Computational Physics. 3: 1117-1131. PMID 20011625 |
0.24 |
|
| 2004 |
Fofanov Y, Luo Y, Katili C, Wang J, Belosludtsev Y, Powdrill T, Belapurkar C, Fofanov V, Li TB, Chumakov S, Pettitt BM. How independent are the appearances of n-mers in different genomes? Bioinformatics (Oxford, England). 20: 2421-8. PMID 15087315 DOI: 10.1093/Bioinformatics/Bth266 |
0.238 |
|
| 2017 |
Zhang C, Drake JA, Ma J, Pettitt BM. Optimal updating magnitude in adaptive flat-distribution sampling. The Journal of Chemical Physics. 147: 174105. PMID 29117700 DOI: 10.1063/1.5008618 |
0.234 |
|
| 1995 |
Phillips GN, Pettitt BM. Structure and dynamics of the water around myoglobin. Protein Science : a Publication of the Protein Society. 4: 149-58. PMID 7757005 DOI: 10.1002/pro.5560040202 |
0.229 |
|
| 2004 |
Rösgen J, Pettitt BM, Bolen DW. Uncovering the basis for nonideal behavior of biological molecules. Biochemistry. 43: 14472-84. PMID 15533052 DOI: 10.1021/Bi048681O |
0.228 |
|
| 2005 |
Choudhury N, Pettitt BM. On the mechanism of hydrophobic association of nanoscopic solutes. Journal of the American Chemical Society. 127: 3556-67. PMID 15755177 DOI: 10.1021/ja0441817 |
0.228 |
|
| 1999 |
Prabhu NV, Perkyns JS, Pettitt BM. Modeling of alpha-MSH conformations with implicit solvent. The Journal of Peptide Research : Official Journal of the American Peptide Society. 54: 394-407. PMID 10563505 DOI: 10.1034/j.1399-3011.1999.00113.x |
0.222 |
|
| 2019 |
Fogg JM, Wang Q, Judge A, Stricker E, Pettitt BM, Zechiedrich L. DNA Shape Shifting as a Gene Therapy Tool Biophysical Journal. 116: 171a. DOI: 10.1016/J.Bpj.2018.11.948 |
0.221 |
|
| 2016 |
Zhang C, Lai CL, Pettitt BM. Accelerating the weighted histogram analysis method by direct inversion in the iterative subspace. Molecular Simulation. 42: 1079-1089. PMID 27453632 DOI: 10.1080/08927022.2015.1110583 |
0.219 |
|
| 2015 |
Harris RC, Pettitt BM. Examining the Assumptions Underlying Continuum-Solvent Models. Journal of Chemical Theory and Computation. 11: 4593-600. PMID 26574250 DOI: 10.1021/acs.jctc.5b00684 |
0.217 |
|
| 1995 |
Valdeavella CV, Blatt HD, Pettitt BM. Simulations of conformers of tuftsin and a cyclic tuftsin analog. International Journal of Peptide and Protein Research. 46: 372-80. PMID 8567181 |
0.216 |
|
| 2007 |
Choudhury N, Pettitt BM. The dewetting transition and the hydrophobic effect. Journal of the American Chemical Society. 129: 4847-52. PMID 17385863 DOI: 10.1021/ja069242a |
0.21 |
|
| 2015 |
Nguyen BL, Pettitt BM. Effects of Acids, Bases, and Heteroatoms on Proximal Radial Distribution Functions for Proteins. Journal of Chemical Theory and Computation. 11: 1399-1409. PMID 26388706 DOI: 10.1021/ct501116v |
0.209 |
|
| 1992 |
Lin S, Mellor-Crummey J, Pettitt B, Phillips G. Molecular dynamics on a distributed-memory multiprocessor Journal of Computational Chemistry. 13: 1022-1035. DOI: 10.1002/Jcc.540130813 |
0.207 |
|
| 1998 |
Makarov VA, Andrews BK, Pettitt BM. Reconstructing the protein-water interface. Biopolymers. 45: 469-78. PMID 9577228 DOI: 10.1002/(SICI)1097-0282(199806)45:7<469::AID-BIP1>3.0.CO;2-M |
0.205 |
|
| 2019 |
Nguyen D, Chen C, Pettitt BM, Iwahara J. NMR Methods for Characterizing the Basic Side Chains of Proteins: Electrostatic Interactions, Hydrogen Bonds, and Conformational Dynamics. Methods in Enzymology. 615: 285-332. PMID 30638532 DOI: 10.1016/bs.mie.2018.08.017 |
0.2 |
|
| 2022 |
Chen C, Pettitt BM. The Effects of Flexibility on dsDNA-dsDNA Interactions. Life (Basel, Switzerland). 12. PMID 35629366 DOI: 10.3390/life12050699 |
0.199 |
|
| 2023 |
Iwahara J, Pettitt BM, Yu B. Direct measurements of biomolecular electrostatics through experiments. Current Opinion in Structural Biology. 82: 102680. PMID 37573815 DOI: 10.1016/j.sbi.2023.102680 |
0.198 |
|
| 1994 |
Burgess K, Ho K, Pettitt BM. A .gamma.-Turn Structure Induced by 2S, 3S-2,3-Methanomethionine Journal of the American Chemical Society. 116: 799-800. DOI: 10.1021/Ja00081A063 |
0.198 |
|
| 1996 |
Yang L, Valdeavella CV, Blatt HD, Pettitt BM. Salt effects on peptide conformers: a dielectric study of tuftsin. Biophysical Journal. 71: 3022-9. PMID 8968573 DOI: 10.1016/S0006-3495(96)79495-X |
0.196 |
|
| 2012 |
Lin B, Wong KY, Hu C, Kokubo H, Pettitt BM. Erratum: Fast Calculations of Electrostatic Solvation Free Energy from Reconstructed Solvent Density using proximal Radial Distribution Functions. The Journal of Physical Chemistry Letters. 3: 69. PMID 23024833 DOI: 10.1021/jz201590q |
0.195 |
|
| 2015 |
Rojas M, Golovko G, Khanipov K, Albayrak L, Chumakov S, Pettitt BM, Strongin AY, Fofanov Y. Secondary Analysis of the NCI-60 Whole Exome Sequencing Data Indicates Significant Presence of Propionibacterium acnes Genomic Material in Leukemia (RPMI-8226) and Central Nervous System (SF-295, SF-539, and SNB-19) Cell Lines. Plos One. 10: e0127799. PMID 26039084 DOI: 10.1371/Journal.Pone.0127799 |
0.194 |
|
| 1994 |
Guha-Biswas M, Holder M, Pettitt BM. On the mechanism of HRV-14 antiviral compounds: "slow growth" as a conformational search procedure. Journal of Medicinal Chemistry. 36: 3489-95. PMID 8246217 DOI: 10.1021/jm00075a001 |
0.193 |
|
| 1992 |
Cheng YK, Pettitt BM. Stabilities of double- and triple-strand helical nucleic acids. Progress in Biophysics and Molecular Biology. 58: 225-57. PMID 1380719 DOI: 10.1016/0079-6107(92)90007-S |
0.193 |
|
| 2015 |
Lynch GC, Perkyns JS, Nguyen BL, Pettitt BM. Solvation and cavity occupation in biomolecules. Biochimica Et Biophysica Acta. 1850: 923-31. PMID 25261777 DOI: 10.1016/j.bbagen.2014.09.020 |
0.192 |
|
| 2001 |
Wong KY, Pettitt BM. A study of DNA tethered to a surface by an all-atom molecular dynamics simulation Theoretical Chemistry Accounts. 106: 233-235. DOI: 10.1007/s002140100269 |
0.191 |
|
| 2001 |
Marlow GE, Pettitt BM. Simulations of the bis-penicillamine enkephalin in sodium chloride solution: a parameter study. Biopolymers. 60: 134-52. PMID 11455547 DOI: 10.1002/1097-0282(2001)60:2<134::AID-BIP1009>3.0.CO;2-M |
0.19 |
|
| 2016 |
Wang Q, Pettitt BM. Sequence Affects the Cyclization of DNA Minicircles. The Journal of Physical Chemistry Letters. 1042-1046. PMID 26938490 DOI: 10.1021/acs.jpclett.6b00246 |
0.183 |
|
| 2013 |
Kokubo H, Harris RC, Asthagiri D, Pettitt BM. Solvation free energies of alanine peptides: the effect of flexibility. The Journal of Physical Chemistry. B. 117: 16428-35. PMID 24328358 DOI: 10.1021/jp409693p |
0.183 |
|
| 1993 |
Kessler DJ, Pettitt BM, Cheng YK, Smith SR, Jayaraman K, Vu HM, Hogan ME. Triple helix formation at distant sites: hybrid oligonucleotides containing a polymeric linker. Nucleic Acids Research. 21: 4810-5. PMID 8233830 DOI: 10.1093/nar/21.20.4810 |
0.182 |
|
| 2010 |
Howard JJ, Perkyns JS, Pettitt BM. The behavior of ions near a charged wall-dependence on ion size, concentration, and surface charge. The Journal of Physical Chemistry. B. 114: 6074-83. PMID 20405885 DOI: 10.1021/jp9108865 |
0.181 |
|
| 1995 |
Burgess K, Ho KK, Pettitt BM. Conformational effects of substituting methionine with (2S,3S)-2,3-methanomethionine in Phe-Met-Arg-Phe-NH2 Journal of the American Chemical Society. 117: 54-65. DOI: 10.1021/Ja00106A007 |
0.18 |
|
| 2009 |
Qamhieh K, Wong KY, Lynch GC, Pettitt BM. THE MELTING MECHANISM OF DNA TETHERED TO A SURFACE. International Journal of Numerical Analysis and Modeling. 6: 474-488. PMID 19802357 |
0.179 |
|
| 2007 |
Rösgen J, Pettitt BM, Bolen DW. An analysis of the molecular origin of osmolyte-dependent protein stability. Protein Science : a Publication of the Protein Society. 16: 733-43. PMID 17327389 DOI: 10.1110/Ps.062671607 |
0.178 |
|
| 1993 |
Mitra R, Pettitt BM, Ramé GL, Blake RD. The relationship between mutation rates for the (C-G)-->(T-A) transition and features of T-G mispair structures in different neighbor environments, determined by free energy molecular mechanics. Nucleic Acids Research. 21: 6028-37. PMID 8290365 |
0.177 |
|
| 2006 |
Kurzak J, Pettitt BM. Fast multipole methods for particle dynamics. Molecular Simulation. 32: 775-790. PMID 19194526 DOI: 10.1080/08927020600991161 |
0.176 |
|
| 2007 |
Feng J, Wong KY, Lynch GC, Gao X, Pettitt BM. Peptide conformations for a microarray surface-tethered epitope of the tumor suppressor p53. The Journal of Physical Chemistry. B. 111: 13797-806. PMID 18004834 DOI: 10.1021/jp075051y |
0.174 |
|
| 2010 |
PERKYNS J, PETTITT BM. ChemInform Abstract: A Site-Site Theory for Finite Concentration Saline Solutions. Cheminform. 24: no-no. DOI: 10.1002/chin.199309011 |
0.172 |
|
| 1995 |
Mitra R, Pettitt BM, Blake RD. Conformational states governing the rates of spontaneous transition mutations. Biopolymers. 36: 169-79. PMID 7492744 DOI: 10.1002/bip.360360206 |
0.166 |
|
| 2020 |
Bores C, Woodson M, Morais MC, Pettitt BM. Effects of Model Shape, Volume, and Softness of the Capsid for DNA Packaging of phi29. The Journal of Physical Chemistry. B. PMID 33151690 DOI: 10.1021/acs.jpcb.0c07478 |
0.165 |
|
| 2008 |
Kokubo H, Pettitt B. 2P-071 Molecular and thermodynamic basis of osmolyte effects to proteins by solvation free energy calculations(The 46th Annual Meeting of the Biophysical Society of Japan) Seibutsu Butsuri. 48: S86. DOI: 10.2142/biophys.48.S86_1 |
0.165 |
|
| 2000 |
Lynch GC, Pettitt BM. Semi-grand canonical molecular dynamics simulation of bovine pancreatic trypsin inhibitor Chemical Physics. 258: 405-413. DOI: 10.1016/S0301-0104(00)00159-2 |
0.164 |
|
| 2018 |
Sarma R, Wong KY, Lynch GC, Pettitt BM. Peptide Solubility Limits: Backbone and Side-Chain Interactions. The Journal of Physical Chemistry. B. PMID 29384681 DOI: 10.1021/acs.jpcb.7b10734 |
0.159 |
|
| 2011 |
Vainrub A, Pettitt BM. Accurate prediction of binding thermodynamics for DNA on surfaces. The Journal of Physical Chemistry. B. 115: 13300-3. PMID 21972932 DOI: 10.1021/jp208141g |
0.156 |
|
| 1997 |
Rudnicki WR, Pettitt BM. Modeling the DNA-solvent interface. Biopolymers. 41: 107-19. PMID 8986123 DOI: 10.1002/(SICI)1097-0282(199701)41:1<107::AID-BIP10>3.0.CO;2-L |
0.155 |
|
| 2013 |
Kokubo H, Pettitt BM. 1P022 Analysis of additivity in the alanine peptide model of protein solvation by molecular simulations(01A. Protein:Structure,Poster) Seibutsu Butsuri. 53: S109. DOI: 10.2142/biophys.53.S109_4 |
0.155 |
|
| 1995 |
Clarage JB, Romo T, Andrews BK, Pettitt BM, Phillips GN. A sampling problem in molecular dynamics simulations of macromolecules Proceedings of the National Academy of Sciences of the United States of America. 92: 3288-3292. PMID 7724554 DOI: 10.1073/Pnas.92.8.3288 |
0.154 |
|
| 1980 |
Matcha RL, Pettitt BM. Theoretical Compton profile anisotropies in molecules and solids. VII. Zero point Compton profile anisotropies and bond polarities in alkali halide diatomic molecules The Journal of Chemical Physics. 72: 4588-4590. DOI: 10.1063/1.439700 |
0.154 |
|
| 1997 |
Blatt HD, Smith PE, Pettitt BM. Protonation effects on the equilibrium and dynamical properties of the alanine tetrapeptide Journal of Physical Chemistry B. 101: 7628-7634. |
0.151 |
|
| 1991 |
Durland RH, Kessler DJ, Gunnell S, Duvic M, Pettitt BM, Hogan ME. Binding of triple helix forming oligonucleotides to sites in gene promoters. Biochemistry. 30: 9246-55. PMID 1892832 DOI: 10.1021/bi00102a017 |
0.151 |
|
| 1983 |
Pettitt BM, Matcha RL, Ramirez BI. Theoretical Compton profile anisotropies in molecules and solids. IX. Chemical bonding and 0–90 anisotropies in the first‐row diatomic hydrides AH The Journal of Chemical Physics. 79: 2913-2917. DOI: 10.1063/1.446113 |
0.149 |
|
| 2023 |
Huang C, Pettitt BM. Parameter Dependence of the Solubility Limit for Disodium Phosphate. The Journal of Physical Chemistry. B. 127: 8690-8696. PMID 37788371 DOI: 10.1021/acs.jpcb.3c05343 |
0.148 |
|
| 1978 |
Matcha RL, Pettitt BM, Ramirez BI, McIntire WR. Theoretical Compton profile anisotropies in molecules and solids. III. Relationship of parallel–perpendicular anisotropies to charge distributions in alkali chloride molecules The Journal of Chemical Physics. 69: 3025-3033. DOI: 10.1063/1.436992 |
0.148 |
|
| 2005 |
Choudhury N, Pettitt BM. Local density profiles are coupled to solute size and attractive potential for nanoscopic hydrophobic solutes Molecular Simulation. 31: 457-463. DOI: 10.1080/08927020500035457 |
0.146 |
|
| 1996 |
Perkyns J, Pettitt BM. Dependence of Hydration Free Energy on Solute Size The Journal of Physical Chemistry. 100: 1323-1329. DOI: 10.1021/jp951495v |
0.144 |
|
| 2002 |
Juárez LH, Glowinski R, Pettitt BM. Numerical simulation of the sedimentation of a tripole-like body in an incompressible viscous fluid Applied Mathematics Letters. 15: 743-747. DOI: 10.1016/S0893-9659(02)00036-8 |
0.144 |
|
| 2016 |
Zhang C, Lai CL, Pettitt BM. Erratum: "Computation of virial coefficients from integral equations" [J. Chem. Phys. 142, 214110 (2015)]. The Journal of Chemical Physics. 144: 229901. PMID 27306025 DOI: 10.1063/1.4953659 |
0.138 |
|
| 1996 |
Perkyns JS, Wang Y, Pettitt BM. Salting in Peptides: Conformationally Dependent Solubilities and Phase Behavior of a Tripeptide Zwitterion in Electrolyte Solution Journal of the American Chemical Society. 118: 1164-1172. DOI: 10.1021/ja952392t |
0.134 |
|
| 1979 |
Matcha RL, Pettitt BM. Theoretical Compton profile anisotropies in molecules and solids. VI. Compton profile anisotropies and chemical binding The Journal of Chemical Physics. 70: 3130-3132. DOI: 10.1063/1.437803 |
0.131 |
|
| 1979 |
Matcha RL, Pettitt BM, Ramirez BI, McIntire WR. Theoretical Compton profile anisotropies in molecules and solids. IV. Parallel–perpendicular anisotropies in alkali fluoride molecules The Journal of Chemical Physics. 71: 991-996. DOI: 10.1063/1.438390 |
0.13 |
|
| 2015 |
Drake JA, Pettitt BM. Force field-dependent solution properties of glycine oligomers Journal of Computational Chemistry. 36: 1275-1285. DOI: 10.1002/jcc.23934 |
0.127 |
|
| 2021 |
Fraser A, Prokhorov NS, Jiao F, Pettitt BM, Scheuring S, Leiman PG. Quantitative description of a contractile macromolecular machine. Science Advances. 7. PMID 34117062 DOI: 10.1126/sciadv.abf9601 |
0.127 |
|
| 1979 |
Matcha RL, Pettitt BM, Ramirez BI, McIntire WR. Theoretical Compton profile anisotropies in molecules and solids. V. Lithium and sodium bromide diatomics The Journal of Chemical Physics. 70: 558. DOI: 10.1063/1.437170 |
0.126 |
|
| 1989 |
AL-OBEIDI F, HADLEY ME, PETTITT BM, HRUBY VJ. ChemInform Abstract: Design of a New Class of Superpotent Cyclic α-Melanotropins Based on Quenched Dynamic Simulations. Cheminform. 20. DOI: 10.1002/chin.198932313 |
0.123 |
|
| 2008 |
Kurzak J, Mirkovic D, Pettitt BM, Johnsson SL. AUTOMATIC GENERATION OF FFT FOR TRANSLATIONS OF MULTIPOLE EXPANSIONS IN SPHERICAL HARMONICS. The International Journal of High Performance Computing Applications. 22: 219-230. PMID 19763233 DOI: 10.1177/1094342008090915 |
0.123 |
|
| 1987 |
Calef DF, Pettitt B. A theoretical study of the structure of shocked water Chemical Physics Letters. 139: 129-133. DOI: 10.1016/0009-2614(87)80164-1 |
0.121 |
|
| 1980 |
Matcha RL, King SC, Pettitt BM. Theory of the chemical bond. V. Bond polarities of post‐transition hydrides The Journal of Chemical Physics. 73: 3944-3946. DOI: 10.1063/1.440580 |
0.119 |
|
| 2016 |
Karandur D, Pettitt BM. The contribution of electrostatic interactions to the collapse of oligoglycine in water Condensed Matter Physics. 19. DOI: 10.5488/CMP.19.23802 |
0.117 |
|
| 1994 |
Mertz JE, Pettitt BM. Molecular Dynamics At a Constant pH The International Journal of Supercomputer Applications and High Performance Computing. 8: 47-53. DOI: 10.1177/109434209400800106 |
0.117 |
|
| 2013 |
Theruvathu JA, Yin YW, Pettitt BM, Sowers LC. Comparison of the structural and dynamic effects of 5-methylcytosine and 5-chlorocytosine in a CpG dinucleotide sequence. Biochemistry. 52: 8590-8. PMID 24147911 DOI: 10.1021/Bi400980C |
0.112 |
|
| 1998 |
Pettitt BA. The Morse oscillator and second-order perturbation theory Journal of Chemical Education. 75: 1170-1171. |
0.109 |
|
| 2007 |
Pettitt BM, Kokubo H. Activity coefficient comparisons of forcefields: High precision chemical potentials of urea Acs National Meeting Book of Abstracts. |
0.107 |
|
| 1992 |
Dang LX, Pettitt BM, Rossky PJ. On the correlation between like ion pairs in water The Journal of Chemical Physics. 96: 4046-4047. DOI: 10.1063/1.461859 |
0.103 |
|
| 1987 |
DANG LX, PETTITT BM. ChemInform Abstract: Chloride Ion Pairs in Water Cheminform. 18. DOI: 10.1002/chin.198747005 |
0.101 |
|
| 2023 |
Conrad JW, Sowers ML, Yap DY, Cherryhomes E, Pettitt BM, Khanipov K, Sowers LC. Transition Mutations in the hTERT Promoter Are Unrelated to Potential i-motif Formation in the C-Rich Strand. Biomolecules. 13. PMID 37759708 DOI: 10.3390/biom13091308 |
0.101 |
|
| 1998 |
Al-Obeidi F, O'Connor SD, Job C, Hruby VJ, Pettitt BM. NMR and quenched molecular dynamics studies of superpotent linear and cyclic alpha-melanotropins. The Journal of Peptide Research : Official Journal of the American Peptide Society. 51: 420-31. PMID 9650716 DOI: 10.1111/J.1399-3011.1998.Tb00640.X |
0.1 |
|
| 1987 |
Dang LX, Pettitt BM. Chloride ion pairs in water Journal of the American Chemical Society. 109: 5531-5532. DOI: 10.1021/ja00252a042 |
0.097 |
|
| 2013 |
Stoilova-McPhie S, Lynch GC, Ludtke S, Pettitt BM. Domain organization of membrane-bound factor VIII. Biopolymers. 99: 448-59. PMID 23616213 DOI: 10.1002/bip.22199 |
0.097 |
|
| 2015 |
Nguyen BL, Pettitt BM. Effects of acids, bases, and heteroatoms on proximal radial distribution functions for proteins Journal of Chemical Theory and Computation. 11: 1399-1409. DOI: 10.1021/ct501116v |
0.093 |
|
| 2010 |
Bee MA, Cook JM, Love EK, O'Bryan LR, Pettitt BA, Schrode K, Vélez A. Assessing acoustic signal variability and the potential for sexual selection and social recognition in boreal chorus frogs (Pseudacris maculata) Ethology. 116: 564-576. DOI: 10.1111/J.1439-0310.2010.01773.X |
0.083 |
|
| 2021 |
Sherman MB, Williams AN, Smith HQ, Pettitt BM, Wobus CE, Smith TJ. Structural Studies on the Shapeshifting Murine Norovirus. Viruses. 13. PMID 34834968 DOI: 10.3390/v13112162 |
0.082 |
|
| 2021 |
Williams AN, Sherman MB, Smith HQ, Taube S, Pettitt BM, Wobus CE, Smith TJ. Multiple signals in the gut contract the mouse norovirus capsid to block antibody binding while enhancing receptor affinity. Journal of Virology. JVI0147121. PMID 34468172 DOI: 10.1128/JVI.01471-21 |
0.08 |
|
| 2017 |
Kolawole AO, Smith HQ, Svoboda SA, Lewis MS, Sherman MB, Lynch GC, Pettitt BM, Smith TJ, Wobus CE. Norovirus Escape from Broadly Neutralizing Antibodies Is Limited to Allostery-Like Mechanisms. Msphere. 2. PMID 29062895 DOI: 10.1128/mSphere.00334-17 |
0.077 |
|
| 1978 |
Matcha RL, Pettitt BM, Meier P, Pendegast P. Potential energy surface for the collinear reaction of Ne and HeH The Journal of Chemical Physics. 69: 2264-2265. DOI: 10.1063/1.436790 |
0.076 |
|
| 1987 |
Dang LX, Pettitt BM. Solvated chloride ions at contact The Journal of Chemical Physics. 86: 6560-6561. DOI: 10.1063/1.452766 |
0.072 |
|
| 1989 |
Lau WF, Pettitt BM. Dynamics of an oxazole compound bound to a common cold virus Journal of the American Chemical Society. 111: 4111-4113. DOI: 10.1021/ja00193a059 |
0.071 |
|
| 2005 |
Chumakov S, Belapurkar C, Putonti C, Li TB, Pettitt BM, Fox GE, Willson RC, Fofanov Y. The theoretical basis of universal identification systems for bacteria and viruses. Journal of Biological Physics and Chemistry : Jbpc. 5: 121-128. PMID 20428334 DOI: 10.4024/40501.Jbpc.05.04 |
0.07 |
|
| 2013 |
Pettitt BA, Bourne GR, Bee MA. Advertisement Call Variation in the Golden Rocket Frog (Anomaloglossus beebei): Evidence for Individual Distinctiveness Ethology. 119: 244-256. DOI: 10.1111/Eth.12058 |
0.07 |
|
| 2012 |
Feng J, Lynch GC, Pettitt BM. Studying proteins and peptides at material surfaces Rsc Biomolecular Sciences. 1: 293-320. |
0.069 |
|
| 2007 |
Pettitt BA, Wheaton CJ, Waterman JM. Effects of storage treatment on fecal steroid hormone concentrations of a rodent, the Cape ground squirrel (Xerus inauris) General and Comparative Endocrinology. 150: 1-11. PMID 16914150 DOI: 10.1016/J.Ygcen.2006.06.010 |
0.067 |
|
| 1999 |
Pettitt B, Danchura W. Symmetry in double-diffusive convection Canadian Journal of Chemistry. 77: 1834-1842. |
0.064 |
|
| 2004 |
Chumakov S, Putonti C, Pettitt BM, Fox G, Willson RC, Fofanov Y. Using statistical properties of short subsequences in microbial identification Proceedings of the International Conference On Mathematics and Engineering Techniques in Medicine and Biological Sciences, Metmbs'04. 363-367. |
0.064 |
|
| 2003 |
Kincaid JP, Donovan J, Pettitt B. Simulation techniques for training emergency response [1] International Journal of Emergency Management. 1: 238-246. DOI: 10.1504/IJEM.2003.003300 |
0.062 |
|
| 2003 |
Davis L, Rolland J, Hamza-Lup F, Ha Y, Norfleet J, Pettitt B, Imielinska C. Enabling a continuum of virtual environment experiences Ieee Computer Graphics and Applications. 23: 10-12. DOI: 10.1109/Mcg.2003.1185574 |
0.062 |
|
| 2021 |
Williams AN, Sherman MB, Smith HQ, Taube S, Pettitt BM, Wobus CE, Smith TJ. A norovirus uses bile salts to escape antibody recognition while enhancing receptor binding. Journal of Virology. PMID 33827952 DOI: 10.1128/JVI.00176-21 |
0.06 |
|
| 2008 |
Pettitt BA, Waterman JM, Wheaton CJ. Assessing the effects of resource availability and parity on reproduction in female Cape ground squirrels: Resources do not matter Journal of Zoology. 276: 291-298. DOI: 10.1111/J.1469-7998.2008.00491.X |
0.054 |
|
| 2011 |
Chen C, Pettitt B. The Paths to Specific vs Nonspecific Sequence Recognition Biophysical Journal. 100: 1a. DOI: 10.1016/j.bpj.2010.11.059 |
0.053 |
|
| 2012 |
Pettitt BA, Bourne GR, Bee MA. Quantitative acoustic analysis of the vocal repertoire of the golden rocket frog (Anomaloglossus beebei). The Journal of the Acoustical Society of America. 131: 4811-20. PMID 22712952 DOI: 10.1121/1.4714769 |
0.051 |
|
| 2006 |
Pettitt BM. Guest editorial: Nanobiology Molecular Simulation. 32: 773. DOI: 10.1080/08927020601009989 |
0.048 |
|
| 2000 |
Pettitt BM. A Perspective on "volume and heat of hydration of ions" Theoretical Chemistry Accounts. 103: 171-172. |
0.047 |
|
| 1998 |
Thourani VH, Pettitt BJ, Schmidt JA, Cooper WA, Rozycki GS. Validation of surgeon-performed emergency abdominal ultrasonography in pediatric trauma patients. Journal of Pediatric Surgery. 33: 322-8. PMID 9498410 DOI: 10.1016/S0022-3468(98)90455-9 |
0.038 |
|
| 1989 |
Dang LX, Pettitt BM. Thermodynamics of diatomic guests in .beta.-quinol clathrates The Journal of Physical Chemistry. 93: 3794-3799. DOI: 10.1021/j100346a082 |
0.035 |
|
| 2014 |
Hugar LA, McCullough CM, Quinn ME, Kapadia SM, Pettitt BJ. Scaling up short-term humanitarian surgery: a global surgery elective for senior medical students. Journal of Surgical Education. 71: 871-7. PMID 24913428 DOI: 10.1016/j.jsurg.2014.04.002 |
0.033 |
|
| 2007 |
Danai B, Pettitt B, Kandola H. Managing Ontario IESO network model and its impact 2007 Ieee Power Engineering Society General Meeting, Pes. DOI: 10.1109/PES.2007.386188 |
0.032 |
|
| 2013 |
Leeds IL, Hugar LA, Pettitt BJ, Srinivasan J, Master VA. International surgical clerkship rotation: perceptions and academic performance. American Journal of Surgery. 206: 280-6. PMID 23481029 DOI: 10.1016/j.amjsurg.2012.10.034 |
0.029 |
|
| 2014 |
Martin BM, Love TP, Srinivasan J, Sharma J, Pettitt B, Sullivan C, Pattaras J, Master VA, Brewster LP. Designing an ethics curriculum to support global health experiences in surgery. The Journal of Surgical Research. 187: 367-70. PMID 24472281 DOI: 10.1016/J.Jss.2013.06.013 |
0.028 |
|
| 1980 |
Pettitt BM, Jacobson K, Matcha RL. Collinear reaction surface for He and ArH+ The Journal of Chemical Physics. 72: 2892-2894. DOI: 10.1063/1.439398 |
0.027 |
|
| 2002 |
Delmond F, Kim YK, Pandya R, Pettitt B, Samou JC. Harmonization, mobility management, and fixed-mobile convergence: Studies in the ITU-T special study group on "IMT-2000 and beyond" Journal of Communications and Networks. 4: 314-320. |
0.024 |
|
| 2006 |
Wyrzykowski AD, Han E, Pettitt BJ, Styblo TM, Rozycki GS. A profile of female academic surgeons: training, credentials, and academic success. The American Surgeon. 72: 1153-7; discussion 1. PMID 17216810 |
0.023 |
|
| 2011 |
Harper JG, Given KS, Pettitt B, Losken A. The independent plastic surgery match: An in-depth analysis of the applicants and process Annals of Plastic Surgery. 66: 568-571. DOI: 10.1097/SAP.0b013e31820b3cea |
0.022 |
|
| 2015 |
Mori M, Liao A, Hagopian TM, Perez SD, Pettitt BJ, Sweeney JF. Medical students impact laparoscopic surgery case time. The Journal of Surgical Research. 197: 277-82. PMID 25963166 DOI: 10.1016/j.jss.2015.04.021 |
0.02 |
|
| 2008 |
Shane MD, Pettitt BJ, Morgenthal CB, Smith CD. Should surgical novices trade their retractors for joysticks? Videogame experience decreases the time needed to acquire surgical skills. Surgical Endoscopy. 22: 1294-7. PMID 17972136 DOI: 10.1007/s00464-007-9614-0 |
0.017 |
|
| 2015 |
Hagopian TM, Vitiello GA, Hart AM, Perez SD, Sweeney JF, Pettitt BJ. Does the amount of time medical students spend in the operating room during the general surgery core clerkship affect their career decision? American Journal of Surgery. 210: 167-72. PMID 25907851 DOI: 10.1016/j.amjsurg.2014.10.031 |
0.014 |
|
| 2009 |
Levack MM, Pettitt BJ, Winston AD. Carotid artery thrombosis and delayed stroke associated with the use of a shoulder belt in a teenager. Journal of Pediatric Surgery. 44: E29-33. PMID 19635289 DOI: 10.1016/j.jpedsurg.2009.05.026 |
0.014 |
|
| 2011 |
Pettitt BA, Waterman JM. Reproductive delay in the female Cape ground squirrel (Xerus inauris) Journal of Mammalogy. 92: 378-386. DOI: 10.1644/10-Mamm-A-168.1 |
0.013 |
|
| 2014 |
Hagopian TM, Vitiello GA, Hart AM, Perez SD, Pettitt BJ, Sweeney JF. Do medical students in the operating room affect patient care? An analysis of one institution's experience over the past five years. Journal of Surgical Education. 71: 817-24. PMID 24931415 DOI: 10.1016/j.jsurg.2014.04.011 |
0.013 |
|
| 2005 |
Pettitt BJ. Medical student concerns and fears before their third-year surgical clerkship. American Journal of Surgery. 189: 492-6. PMID 15820468 DOI: 10.1016/j.amjsurg.2004.09.017 |
0.011 |
|
| 2014 |
Medbery RL, Coefield R, Patel AD, Pettitt BJ, Singh A, Srinivasan JK, Woods K, Davis SS. Endoscopic management of gastrojejunostomy strictures: One institution's approach Bariatric Surgical Practice and Patient Care. 9: 29-35. DOI: 10.1089/bari.2014.0002 |
0.01 |
|
| 2002 |
Davis L, Ha Y, Frolich S, Martin G, Meyer C, Pettitt B, Norfleet J, Lin KC, Rolland JP. Augmented reality and training for airway management procedures Studies in Health Technology and Informatics. 85: 121-126. PMID 2004169087 DOI: 10.3233/978-1-60750-929-5-121 |
0.01 |
|
| 2002 |
Rozycki GS, Tremblay L, Feliciano DV, Tchorz K, Hattaway A, Fountain J, Pettitt BJ. A prospective study for the detection of vascular injury in adult and pediatric patients with cervicothoracic seat belt signs. The Journal of Trauma. 52: 618-23; discussion 6. PMID 11956373 |
0.01 |
|
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