Paul Edward Smith - Publications

Affiliations: 
Chemistry Kansas State University, Manhattan, KS, United States 
Website:
https://www.k-state.edu/chem/people/grad-faculty/smith/

64 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2019 Ploetz EA, Smith PE. Gas or Liquid? The Supercritical Behavior of Pure Fluids. The Journal of Physical Chemistry. B. PMID 31287691 DOI: 10.1021/acs.jpcb.9b04058  1
2019 Ploetz EA, Smith PE. Classical harmonic model for the behavior of pure fluids at the critical point. Physical Chemistry Chemical Physics : Pccp. PMID 30924824 DOI: 10.1039/c9cp00602h  1
2018 Pallewela GN, Ploetz EA, Smith PE. Experimental Investigation of Triplet Correlation Approximations for Fluid Water. Fluid Phase Equilibria. 470: 38-50. PMID 29915448 DOI: 10.1016/j.fluid.2017.10.028  1
2018 Naleem N, Bentenitis N, Smith PE. A Kirkwood-Buff derived force field for alkaline earth halide salts. The Journal of Chemical Physics. 148: 222828. PMID 29907021 DOI: 10.1063/1.5019454  0.72
2017 Wang H, Yapa AS, Kariyawasam NL, Shrestha TB, Wendel SO, Yu J, Pyle M, Basel MT, Malalasekera AP, Toledo Y, Ortega R, Thapa PS, Huang H, Sun SX, Smith PE, et al. Rationally Designed Peptide Nanosponges for Cell-Based Cancer Therapy. Nanomedicine : Nanotechnology, Biology, and Medicine. PMID 28754467 DOI: 10.1016/j.nano.2017.07.004  0.28
2017 Shimizu S, Smith PE. How Osmolytes Counteract Pressure Denaturation on a Molecular Scale. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. PMID 28678423 DOI: 10.1002/cphc.201700503  0.01
2017 Ploetz EA, Smith PE. Simulated pressure denaturation thermodynamics of ubiquitin. Biophysical Chemistry. PMID 28576277 DOI: 10.1016/j.bpc.2017.04.006  1
2016 Ploetz EA, Rustenburg AS, Geerke DP, Smith PE. To Polarize or Not To Polarize? Charge-On-Spring versus KBFF Models for Water and Methanol Bulk and Vapor-Liquid Interfacial Mixtures. Journal of Chemical Theory and Computation. PMID 27045390 DOI: 10.1021/acs.jctc.5b01115  1
2015 Pallewela G, Smith PE. Preferential Solvation in Binary and Ternary Mixtures. The Journal of Physical Chemistry. B. PMID 26619142 DOI: 10.1021/acs.jpcb.5b10139  1
2015 Perevedentsev A, Stavrinou PN, Bradley DD, Smith P. Solution-Crystallization and Related Phenomena in 9,9-Dialkyl-Fluorene Polymers. I. Crystalline Polymer-Solvent Compound Formation for Poly(9,9-dioctylfluorene). Journal of Polymer Science. Part B, Polymer Physics. 53: 1481-1491. PMID 26435576 DOI: 10.1002/polb.23798  1
2015 Ploetz EA, Smith PE. Particle and Energy Pair and Triplet Correlations in Liquids and Liquid Mixtures from Experiment and Simulation. The Journal of Physical Chemistry. B. 119: 7761-77. PMID 25961333 DOI: 10.1021/acs.jpcb.5b00741  1
2015 Ploetz EA, Smith PE. Experimental triplet and quadruplet fluctuation densities and spatial distribution function integrals for liquid mixtures. The Journal of Chemical Physics. 142: 094504. PMID 25747091 DOI: 10.1063/1.4913514  1
2015 Ploetz EA, Karunaweera S, Smith PE. Experimental triplet and quadruplet fluctuation densities and spatial distribution function integrals for pure liquids. The Journal of Chemical Physics. 142: 044502. PMID 25637990 DOI: 10.1063/1.4905562  1
2014 Ploetz EA, Smith PE. Infinitely dilute partial molar properties of proteins from computer simulation. The Journal of Physical Chemistry. B. 118: 12844-54. PMID 25325571 DOI: 10.1021/jp508632h  1
2013 Ploetz EA, Smith PE. Local Fluctuations in Solution: Theory and Applications. Advances in Chemical Physics. 153: 311-372. PMID 24683278 DOI: 10.1002/9781118571767.ch4  1
2012 Karunaweera S, Gee MB, Weerasinghe S, Smith PE. Theory and Simulation of Multicomponent Osmotic Systems. Journal of Chemical Theory and Computation. 8: 3493-3503. PMID 23329894 DOI: 10.1021/ct300079v  1
2012 Zhang T, Ploetz EA, Nagy M, Doyle SM, Wickner S, Smith PE, Zolkiewski M. Flexible connection of the N-terminal domain in ClpB modulates substrate binding and the aggregate reactivation efficiency Proteins: Structure, Function and Bioinformatics. 80: 2758-2768. PMID 22890624 DOI: 10.1002/prot.24159  1
2011 Ploetz EA, Smith PE. A Kirkwood-Buff force field for the aromatic amino acids. Physical Chemistry Chemical Physics : Pccp. 13: 18154-67. PMID 21931889 DOI: 10.1039/c1cp21883b  1
2011 Ploetz EA, Smith PE. Local fluctuations in solution mixtures. The Journal of Chemical Physics. 135: 044506. PMID 21806137 DOI: 10.1063/1.3615718  1
2011 Gee MB, Cox NR, Jiao Y, Bentenitis N, Weeerasinghe S, Smith PE. A Kirkwood-Buff Derived Force Field for Aqueous Alkali Halides. Journal of Chemical Theory and Computation. 7: 1369-1380. PMID 21789033 DOI: 10.1021/ct100517z  1
2011 Jiao Y, Smith PE. Fluctuation theory of molecular association and conformational equilibria. The Journal of Chemical Physics. 135: 014502. PMID 21744905 DOI: 10.1063/1.3601342  1
2010 Kang M, Smith PE. A Pairwise Preferential Interaction Model for Understanding Peptide Aggregation. International Journal of Thermophysics. 31: 793-804. PMID 20694045 DOI: 10.1007/s10765-009-0694-z  1
2010 Ploetz EA, Bentenitis N, Smith PE. Kirkwood-Buff integrals for ideal solutions. The Journal of Chemical Physics. 132: 164501. PMID 20441282 DOI: 10.1063/1.3398466  1
2010 Smith PE. The effect of urea on the morphology of NaCl crystals: A combined theoretical and simulation study. Fluid Phase Equilibria. 290: 36-42. PMID 20383314 DOI: 10.1016/j.fluid.2009.08.006  1
2010 Ploetz EA, Bentenitis N, Smith PE. Developing Force Fields from the Microscopic Structure of Solutions. Fluid Phase Equilibria. 290: 43. PMID 20161692 DOI: 10.1016/j.fluid.2009.11.023  1
2009 Kang M, Perera A, Smith PE. Comment on "Can existing models quantitatively describe the mixing behavior of acetone with water" [J. Chem. Phys. 130, 124516 (2009)]. The Journal of Chemical Physics. 131: 157101; author reply. PMID 20568888 DOI: 10.1063/1.3248018  1
2009 Gee MB, Smith PE. Kirkwood-Buff theory of molecular and protein association, aggregation, and cellular crowding. The Journal of Chemical Physics. 131: 165101. PMID 19894976 DOI: 10.1063/1.3253299  1
2009 Bentenitis N, Cox NR, Smith PE. A Kirkwood-Buff derived force field for thiols, sulfides, and disulfides. The Journal of Physical Chemistry. B. 113: 12306-15. PMID 19681588 DOI: 10.1021/jp904806f  1
2009 Mazo RM, Matteoli E, Smith PE. Concentration fluctuations in fluid mixtures. II. The Journal of Chemical Physics. 130: 234508. PMID 19548740 DOI: 10.1063/1.3154582  1
2009 Basel MT, Dani RK, Kang M, Pavlenok M, Chikan V, Smith PE, Niederweis M, Bossmann SH. Direct observation of gold nanoparticle assemblies with the porin MspA on mica. Acs Nano. 3: 462-6. PMID 19236086 DOI: 10.1021/nn800786p  1
2008 Smith PE. On the Kirkwood-Buff inversion procedure. The Journal of Chemical Physics. 129: 124509. PMID 19045038 DOI: 10.1063/1.2982171  1
2008 Chen F, Smith PE. Theory and computer simulation of solute effects on the surface tension of liquids. The Journal of Physical Chemistry. B. 112: 8975-84. PMID 18610955 DOI: 10.1021/jp711062a  1
2008 Kang M, Smith PE. Kirkwood-Buff theory of four and higher component mixtures. The Journal of Chemical Physics. 128: 244511. PMID 18601352 DOI: 10.1063/1.2943318  1
2008 Smith PE, Mazo RM. On the theory of solute solubility in mixed solvents. The Journal of Physical Chemistry. B. 112: 7875-84. PMID 18529024 DOI: 10.1021/jp712179w  0.01
2008 Dani RK, Kang M, Kalita M, Smith PE, Bossmann SH, Chikan V. MspA Porin-Gold Nanoparticle Assemblies: Enhanced Binding through a Controlled Cysteine Mutation. Nano Letters. 8: 1229-36. PMID 18318505 DOI: 10.1021/nl072658h  1
2008 Pierce V, Kang M, Aburi M, Weerasinghe S, Smith PE. Recent applications of Kirkwood-Buff theory to biological systems. Cell Biochemistry and Biophysics. 50: 1-22. PMID 18043873 DOI: 10.1007/s12013-007-9005-0  1
2007 Chen F, Smith PE. Simulated surface tensions of common water models. The Journal of Chemical Physics. 126: 221101. PMID 17581036 DOI: 10.1063/1.2745718  1
2006 Kang M, Smith PE. A Kirkwood-Buff derived force field for amides. Journal of Computational Chemistry. 27: 1477-85. PMID 16823811 DOI: 10.1002/jcc.20441  1
2006 Smith PE. Chemical potential derivatives and preferential interaction parameters in biological systems from Kirkwood-Buff theory. Biophysical Journal. 91: 849-56. PMID 16679363 DOI: 10.1529/biophysj.105.078790  1
2006 Smith PE. Equilibrium dialysis data and the relationships between preferential interaction parameters for biological systems in terms of Kirkwood-Buff integrals. The Journal of Physical Chemistry. B. 110: 2862-8. PMID 16471896 DOI: 10.1021/jp056100e  1
2006 Cook GA, Pajewski R, Aburi M, Smith PE, Prakash O, Tomich JM, Gokel GW. NMR structure and dynamic studies of an anion-binding, channel-forming heptapeptide. Journal of the American Chemical Society. 128: 1633-8. PMID 16448136 DOI: 10.1021/ja055887j  1
2005 Weerasinghe S, Smith PE. A Kirkwood-Buff derived force field for methanol and aqueous methanol solutions. The Journal of Physical Chemistry. B. 109: 15080-6. PMID 16852908 DOI: 10.1021/jp051773i  1
2005 Smith PE. Protein volume changes on cosolvent denaturation Biophysical Chemistry. 113: 299-302. PMID 15620515 DOI: 10.1016/j.bpc.2004.10.002  1
2004 Weerasinghe S, Smith PE. A Kirkwood-Buff derived force field for the simulation of aqueous guanidinium chloride solutions. The Journal of Chemical Physics. 121: 2180-6. PMID 15260772 DOI: 10.1063/1.1768938  1
2004 Aburi M, Smith PE. Modeling and simulation of the human delta opioid receptor. Protein Science : a Publication of the Protein Society. 13: 1997-2008. PMID 15238638 DOI: 10.1110/ps.04720304  1
2003 Lei H, Smith PE. The role of the unfolded state in hairpin stability. Biophysical Journal. 85: 3513-20. PMID 14645046 DOI: 10.1016/S0006-3495(03)74771-7  1
2002 Bottoms CA, Smith PE, Tanner JJ. A structurally conserved water molecule in Rossmann dinucleotide-binding domains. Protein Science : a Publication of the Protein Society. 11: 2125-37. PMID 12192068 DOI: 10.1110/ps.0213502  1
2002 Aburi M, Smith PE. A conformational analysis of leucine enkephalin as a function of pH. Biopolymers. 64: 177-88. PMID 12115135 DOI: 10.1002/bip.10158  1
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  1
2000 Smith PE, Tanner JJ. Conformations of nicotinamide adenine dinucleotide (NAD(+)) in various environments. Journal of Molecular Recognition : Jmr. 13: 27-34. PMID 10679894 DOI: 10.1002/(SICI)1099-1352(200001/02)13:1<27::AID-JMR483>3.0.CO;2-8  0.01
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  1
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  1
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  1
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  1
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  1
1995 Smith PE, van Schaik RC, Szyperski T, Wüthrich K, van Gunsteren WF. Internal mobility of the basic pancreatic trypsin inhibitor in solution: a comparison of NMR spin relaxation measurements and molecular dynamics simulations. Journal of Molecular Biology. 246: 356-65. PMID 7532721 DOI: 10.1006/jmbi.1994.0090  1
1994 Smith PE, van Gunsteren WF. Translational and rotational diffusion of proteins. Journal of Molecular Biology. 236: 629-36. PMID 7508990 DOI: 10.1006/jmbi.1994.1172  1
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  1
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  1
1991 Abraham RJ, Grant GH, Haworth IS, Smith PE. Charge calculations in molecular mechanics. Part 8 Partial atomic charges from classical calculations Journal of Computer-Aided Molecular Design. 5: 21-39. PMID 2072123 DOI: 10.1007/BF00173468  1
1991 Abraham RJ, Medforth CJ, Smith PE. Conformational analysis. Part 16. Conformational free energies in substituted piperidines and piperidinium salts. Journal of Computer-Aided Molecular Design. 5: 205-12. PMID 1919617  1
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  1
1989 Abraham RJ, Smith PE. Charge calculations in molecular mechanics 7: application to polar pi systems incorporating nitro, cyano, amino, C=S and thio substituents. Journal of Computer-Aided Molecular Design. 3: 175-87. PMID 2778459 DOI: 10.1007/BF01557727  1
1988 Abraham RJ, Smith PE. Charge calculations in molecular mechanics 6: the calculation of partial atomic charges in nucleic acid bases and the electrostatic contribution to DNA base pairing. Nucleic Acids Research. 16: 2639-57. PMID 3362677 DOI: 10.1093/nar/16.6.2639  1
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