| Year |
Citation |
Score |
| 2023 |
Lee KH, Kuczera K. Effect of alanine versus serine at position 88 of human transthyretin mutants on the protein stability. Protein Engineering, Design & Selection : Peds. PMID 36611015 DOI: 10.1093/protein/gzad001 |
0.545 |
|
| 2022 |
Lee KH, Kuczera K. Free energy simulations to study mutational effect of a conserved residue, Trp24, on stability of human serum retinol-binding protein. Journal of Biomolecular Structure & Dynamics. 1-11. PMID 35899456 DOI: 10.1080/07391102.2022.2100829 |
0.563 |
|
| 2022 |
Lee KH, Kuczera K. Modulation of human transthyretin stability by the mutations at histidine 88 studied by free energy simulation. Proteins. PMID 35484710 DOI: 10.1002/prot.26353 |
0.533 |
|
| 2022 |
Lee KH, Kuczera K. Simulation analysis of selective alanine mutation effect on stability of human prion protein. Journal of Biomolecular Structure & Dynamics. 1-11. PMID 35176965 DOI: 10.1080/07391102.2022.2036237 |
0.531 |
|
| 2021 |
Lee KH, Kuczera K. Free energy simulations to understand the effect of Met → Ala mutations at positions 205, 206 and 213 on stability of human prion protein. Biophysical Chemistry. 275: 106620. PMID 34058726 DOI: 10.1016/j.bpc.2021.106620 |
0.518 |
|
| 2021 |
Kuczera K, Szoszkiewicz R, He J, Jas GS. Length Dependent Folding Kinetics of Alanine-Based Helical Peptides from Optimal Dimensionality Reduction. Life (Basel, Switzerland). 11. PMID 33923197 DOI: 10.3390/life11050385 |
0.355 |
|
| 2020 |
Lee BL, Kuczera K, Lee KH, Childs EW, Jas GS. Unassisted N-acetyl-phenylalanine-amide transport across membrane with varying lipid size and composition: kinetic measurements and atomistic molecular dynamics simulation. Journal of Biomolecular Structure & Dynamics. 1-16. PMID 33034537 DOI: 10.1080/07391102.2020.1827037 |
0.484 |
|
| 2019 |
Jas GS, Vallejo-Calzada R, Johnson CK, Kuczera K. Dynamic elements and kinetics: Most favorable conformations of peptides in solution with measurements and simulations. The Journal of Chemical Physics. 151: 225102. PMID 31837693 DOI: 10.1063/1.5131782 |
0.43 |
|
| 2019 |
Jas GS, Childs EW, Kuczera K. Kinetic pathway analysis of an α-helix in two protonation states: Direct observation and optimal dimensionality reduction. The Journal of Chemical Physics. 150: 074902. PMID 30795683 DOI: 10.1063/1.5082192 |
0.407 |
|
| 2018 |
Jas GS, Kuczera K. Helix-Coil Transition Courses Through Multiple Pathways and Intermediates: Fast Kinetic Measurements and Dimensionality Reduction. The Journal of Physical Chemistry. B. PMID 30395709 DOI: 10.1021/Acs.Jpcb.8B07924 |
0.412 |
|
| 2018 |
Jas GS, Kuczera K. Deprotonation of a Single Amino Acid Residue Induces Significant Stability in an α-Helical Heteropeptide. The Journal of Physical Chemistry. B. PMID 30339390 DOI: 10.1021/Acs.Jpcb.8B07418 |
0.414 |
|
| 2018 |
Kern NR, Lee J, Fine-Morris M, Klauda JB, Kuczera K, Fleming P, Im W. CHARMM-GUI Lecture Series on Molecular Modeling and Simulation Biophysical Journal. 114: 184a. DOI: 10.1016/J.Bpj.2017.11.1027 |
0.308 |
|
| 2017 |
Lee BL, Kuczera K. Simulating the free energy of passive membrane permeation for small molecules Molecular Simulation. 44: 1147-1157. DOI: 10.1080/08927022.2017.1407029 |
0.333 |
|
| 2016 |
Lee BL, Kuczera K, Middaugh CR, Jas GS. Permeation of the three aromatic dipeptides through lipid bilayers: Experimental and computational study. The Journal of Chemical Physics. 144: 245103. PMID 27369545 DOI: 10.1063/1.4954241 |
0.377 |
|
| 2016 |
Jas GS, Middaugh CR, Kuczera K. Probing Selection Mechanism of the Most Favorable Conformation of a Dipeptide in Chaotropic and Kosmotropic Solution. The Journal of Physical Chemistry. B. PMID 27328987 DOI: 10.1021/Acs.Jpcb.6B04528 |
0.41 |
|
| 2016 |
Jas GS, Rentchler EC, Słowicka A, Hermansen JR, Johnson CK, Middaugh CR, Kuczera K. Reorientation Motion and Preferential Interactions of a Peptide in Denaturants and Osmolyte. The Journal of Physical Chemistry. B. PMID 26967551 DOI: 10.1021/Acs.Jpcb.6B00028 |
0.375 |
|
| 2016 |
Alaofi A, Farokhi E, Prasasty VD, Anbanandam A, Kuczera K, Siahaan TJ. Probing the Interaction between cHAVc3 Peptide and the EC1 Domain of E-cadherin using NMR and Molecular Dynamics Simulations. Journal of Biomolecular Structure & Dynamics. 1-48. PMID 26728967 DOI: 10.1080/07391102.2015.1133321 |
0.432 |
|
| 2015 |
Kuczera K. Molecular modeling of peptides. Methods in Molecular Biology (Clifton, N.J.). 1268: 15-41. PMID 25555719 DOI: 10.1007/978-1-4939-2285-7_2 |
0.387 |
|
| 2014 |
Jas GS, Hegefeld WA, Middaugh CR, Johnson CK, Kuczera K. Detailed microscopic unfolding pathways of an α-helix and a β-hairpin: direct observation and molecular dynamics. The Journal of Physical Chemistry. B. 118: 7233-46. PMID 24897620 DOI: 10.1021/Jp500955Z |
0.426 |
|
| 2014 |
Ploscariu N, Kuczera K, Malek KE, Wawrzyniuk M, Dey A, Szoszkiewicz R. Single molecule studies of force-induced S2 site exposure in the mammalian Notch negative regulatory domain. The Journal of Physical Chemistry. B. 118: 4761-70. PMID 24735465 DOI: 10.1021/Jp5004825 |
0.305 |
|
| 2014 |
Jas GS, Middaugh CR, Kuczera K. Non-exponential kinetics and a complete folding pathway of an α-helical heteropeptide: direct observation and comprehensive molecular dynamics. The Journal of Physical Chemistry. B. 118: 639-47. PMID 24341828 DOI: 10.1021/Jp410934G |
0.427 |
|
| 2013 |
Kuczera K. Milestoning simulation reveals mechanism of helix-breaking. Biophysical Journal. 105: 832. PMID 23972831 DOI: 10.1016/J.Bpj.2013.06.034 |
0.384 |
|
| 2012 |
Kuczera K, Kursula P. Interactions of calmodulin with death-associated protein kinase peptides: experimental and modeling studies. Journal of Biomolecular Structure & Dynamics. 30: 45-61. PMID 22571432 DOI: 10.1080/07391102.2012.674221 |
0.414 |
|
| 2012 |
Deleon KY, Patel AP, Kuczera K, Johnson CK, Jas GS. Structure and reorientational dynamics of angiotensin I and II: a microscopic physical insight. Journal of Biomolecular Structure & Dynamics. 29: 671-90. PMID 22545998 DOI: 10.1080/07391102.2011.672631 |
0.422 |
|
| 2012 |
Jas GS, Hegefeld WA, Májek P, Kuczera K, Elber R. Experiments and comprehensive simulations of the formation of a helical turn. The Journal of Physical Chemistry. B. 116: 6598-610. PMID 22335541 DOI: 10.1021/Jp211645S |
0.429 |
|
| 2012 |
Cardenas AE, Jas GS, DeLeon KY, Hegefeld WA, Kuczera K, Elber R. Unassisted transport of N-acetyl-L-tryptophanamide through membrane: experiment and simulation of kinetics. The Journal of Physical Chemistry. B. 116: 2739-50. PMID 22313494 DOI: 10.1021/Jp2102447 |
0.33 |
|
| 2012 |
Jas GS, Kuczera K. Computer simulations of helix folding in homo-and heteropeptides Molecular Simulation. 38: 682-694. DOI: 10.1080/08927022.2012.671941 |
0.41 |
|
| 2012 |
Cardenas AE, DeLeon KY, Hegefeld WA, Kuczera K, Jas GS, Elber R. Unassisted Transport of Block Tryptophan through DOPC Membrane: Experiment and Simulation Biophysical Journal. 102: 713a-714a. DOI: 10.1016/J.Bpj.2011.11.3871 |
0.349 |
|
| 2011 |
Parthasarathy S, Altuve A, Terzyan S, Zhang X, Kuczera K, Rivera M, Benson DR. Accommodating a nonconservative internal mutation by water-mediated hydrogen bonding between β-sheet strands: a comparison of human and rat type B (mitochondrial) cytochrome b5. Biochemistry. 50: 5544-54. PMID 21574570 DOI: 10.1021/Bi2004729 |
0.541 |
|
| 2011 |
Lee KH, Kuczera K, Holl MM. Effect of osteogenesis imperfecta mutations on free energy of collagen model peptides: a molecular dynamics simulation. Biophysical Chemistry. 156: 146-52. PMID 21514034 DOI: 10.1016/J.Bpc.2011.03.012 |
0.595 |
|
| 2011 |
Song KC, Livanec PW, Klauda JB, Kuczera K, Dunn RC, Im W. Orientation of fluorescent lipid analogue BODIPY-PC to probe lipid membrane properties: insights from molecular dynamics simulations. The Journal of Physical Chemistry. B. 115: 6157-65. PMID 21513278 DOI: 10.1021/Jp109629V |
0.338 |
|
| 2011 |
Hegefeld WA, Kuczera K, Jas GS. Structural dynamics of neuropeptide hPYY. Biopolymers. 95: 487-502. PMID 21360523 DOI: 10.1002/Bip.21608 |
0.432 |
|
| 2011 |
Lee KH, Kuczera K, Banaszak Holl MM. The severity of osteogenesis imperfecta: a comparison to the relative free energy differences of collagen model peptides. Biopolymers. 95: 182-93. PMID 20945334 DOI: 10.1002/Bip.21552 |
0.595 |
|
| 2010 |
Hegefeld WA, Chen SE, DeLeon KY, Kuczera K, Jas GS. Helix formation in a pentapeptide: experiment and force-field dependent dynamics. The Journal of Physical Chemistry. A. 114: 12391-402. PMID 21058639 DOI: 10.1021/Jp102612D |
0.406 |
|
| 2010 |
Cai S, Fang J, Li QS, Borchardt RT, Kuczera K, Middaugh CR, Schowen RL. Comparative kinetics of cofactor association and dissociation for the human and trypanosomal S-adenosylhomocysteine hydrolases. 3. Role of lysyl and tyrosyl residues of the C-terminal extension. Biochemistry. 49: 8434-41. PMID 20687591 DOI: 10.1021/Bi1007595 |
0.644 |
|
| 2010 |
Kuczera K, Unruh J, Johnson CK, Jas GS. Reorientations of aromatic amino acids and their side chain models: anisotropy measurements and molecular dynamics simulations. The Journal of Physical Chemistry. A. 114: 133-42. PMID 20055513 DOI: 10.1021/Jp907382H |
0.349 |
|
| 2009 |
Cai S, Li QS, Fang J, Borchardt RT, Kuczera K, Middaugh CR, Schowen RL. The rationale for targeting the NAD/NADH cofactor binding site of parasitic S-adenosyl-L-homocysteine hydrolase for the design of anti-parasitic drugs. Nucleosides, Nucleotides & Nucleic Acids. 28: 485-503. PMID 20183598 DOI: 10.1080/15257770903051031 |
0.566 |
|
| 2009 |
Li QS, Cai S, Fang J, Borchardt RT, Kuczera K, Middaugh CR, Schowen RL. Evaluation of NAD(H) analogues as selective inhibitors for Trypanosoma cruzi S-adenosylhomocysteine hydrolase. Nucleosides, Nucleotides & Nucleic Acids. 28: 473-84. PMID 20183597 DOI: 10.1080/15257770903044572 |
0.569 |
|
| 2009 |
Unruh JR, Kuczera K, Johnson CK. Conformational heterogeneity of a leucine enkephalin analogue in aqueous solution and sodium dodecyl sulfate micelles: comparison of time-resolved FRET and molecular dynamics simulations. The Journal of Physical Chemistry. B. 113: 14381-92. PMID 19780516 DOI: 10.1021/Jp903302K |
0.436 |
|
| 2009 |
Myllykoski M, Kuczera K, Kursula P. Complex formation between calmodulin and a peptide from the intracellular loop of the gap junction protein connexin43: Molecular conformation and energetics of binding. Biophysical Chemistry. 144: 130-5. PMID 19716642 DOI: 10.1016/J.Bpc.2009.08.001 |
0.402 |
|
| 2009 |
Zheng K, Laurence JS, Kuczera K, Verkhivker G, Middaugh CR, Siahaan TJ. Characterization of multiple stable conformers of the EC5 domain of E-cadherin and the interaction of EC5 with E-cadherin peptides. Chemical Biology & Drug Design. 73: 584-98. PMID 19635050 DOI: 10.1111/J.1747-0285.2009.00818.X |
0.374 |
|
| 2009 |
Kuczera K, Jas GS, Elber R. Kinetics of helix unfolding: molecular dynamics simulations with milestoning. The Journal of Physical Chemistry. A. 113: 7461-73. PMID 19354256 DOI: 10.1021/Jp900407W |
0.395 |
|
| 2008 |
Houndonougbo Y, Kuczera K, Jas GS. Effects of CMAP and electrostatic cutoffs on the dynamics of an integral membrane protein: The phospholamban study Journal of Biomolecular Structure and Dynamics. 26: 17-34. PMID 18533723 DOI: 10.1080/07391102.2008.10507220 |
0.422 |
|
| 2008 |
Li QS, Cai S, Fang J, Borchardt RT, Kuczera K, Middaugh CR, Schowen RL. Comparative kinetics of cofactor association and dissociation for the human and trypanosomal S-adenosylhomocysteine hydrolases. 2. The role of helix 18 stability. Biochemistry. 47: 4983-91. PMID 18393535 DOI: 10.1021/Bi800175G |
0.606 |
|
| 2008 |
Hu C, Fang J, Borchardt RT, Schowen RL, Kuczera K. Molecular dynamics simulations of domain motions of substrate-free S-adenosyl- L-homocysteine hydrolase in solution. Proteins. 71: 131-43. PMID 17932938 DOI: 10.1002/Prot.21664 |
0.396 |
|
| 2007 |
Cai S, Li QS, Borchardt RT, Kuczera K, Schowen RL. The antiviral drug ribavirin is a selective inhibitor of S-adenosyl-L-homocysteine hydrolase from Trypanosoma cruzi. Bioorganic & Medicinal Chemistry. 15: 7281-7. PMID 17845853 DOI: 10.1016/J.Bmc.2007.08.029 |
0.561 |
|
| 2007 |
Li QS, Cai S, Borchardt RT, Fang J, Kuczera K, Middaugh CR, Schowen RL. Comparative kinetics of cofactor association and dissociation for the human and trypanosomal S-adenosylhomocysteine hydrolases. 1. Basic features of the association and dissociation processes. Biochemistry. 46: 5798-809. PMID 17447732 DOI: 10.1021/Bi700170M |
0.589 |
|
| 2007 |
Houndonougbo Y, Kuczera K, Subramaniam B, Laird BB. Prediction of phase equilibria and transport properties in carbon-dioxide expanded solvents by molecular simulation Molecular Simulation. 33: 861-869. DOI: 10.1080/08927020701310923 |
0.315 |
|
| 2006 |
Cheng Q, Benson DR, Rivera M, Kuczera K. Influence of point mutations on the flexibility of cytochrome b5: molecular dynamics simulations of holoproteins. Biopolymers. 83: 297-312. PMID 16807901 DOI: 10.1002/Bip.20563 |
0.364 |
|
| 2006 |
Houndonougbo Y, Jin H, Rajagopalan B, Wong K, Kuczera K, Subramaniam B, Laird B. Phase equilibria in carbon dioxide expanded solvents: Experiments and molecular simulations. The Journal of Physical Chemistry. B. 110: 13195-202. PMID 16805632 DOI: 10.1021/Jp061592W |
0.301 |
|
| 2006 |
Wang M, Unruh JR, Johnson CK, Kuczera K, Schowen RL, Borchardt RT. Effects of ligand binding and oxidation on hinge-bending motions in S-adenosyl-L-homocysteine hydrolase. Biochemistry. 45: 7778-86. PMID 16784229 DOI: 10.1021/Bi0523106 |
0.48 |
|
| 2005 |
Wang M, Zhang J, Andrei D, Kuczera K, Borchardt RT, Wnuk SF. Are L-adenosine and its derivatives substrates for S-adenosyl-L-homocysteine hydrolase? Journal of Medicinal Chemistry. 48: 3649-53. PMID 15887973 DOI: 10.1021/Jm0490484 |
0.409 |
|
| 2005 |
Wang M, Borchardt RT, Schowen RL, Kuczera K. Domain motions and the open-to-closed conformational transition of an enzyme: a normal mode analysis of S-adenosyl-L-homocysteine hydrolase. Biochemistry. 44: 7228-39. PMID 15882061 DOI: 10.1021/Bi047524M |
0.504 |
|
| 2005 |
Houndonougbo Y, Kuczera K, Jas GS. Structure and dynamics of phospholamban in solution and in membrane bilayer: computer simulations. Biochemistry. 44: 1780-92. PMID 15697203 DOI: 10.1021/Bi0488404 |
0.419 |
|
| 2004 |
Jas GS, Kuczera K. Equilibrium structure and folding of a helix-forming peptide: circular dichroism measurements and replica-exchange molecular dynamics simulations. Biophysical Journal. 87: 3786-98. PMID 15339816 DOI: 10.1529/Biophysj.104.045419 |
0.448 |
|
| 2004 |
Yang C, Jas GS, Kuczera K. Structure, dynamics and interaction with kinase targets: computer simulations of calmodulin. Biochimica Et Biophysica Acta. 1697: 289-300. PMID 15023369 DOI: 10.1016/J.Bbapap.2003.11.032 |
0.43 |
|
| 2004 |
Zheng K, Makagiansar IT, Wang M, Urbauer JL, Kuczera K, Siahaan TJ. Expression, purification, and structural study of the EC4 domain of E-cadherin. Protein Expression and Purification. 33: 72-9. PMID 14680964 DOI: 10.1016/J.Pep.2003.08.021 |
0.46 |
|
| 2003 |
Lee KH, Kuczera K. Molecular dynamics simulation studies of cytochrome b5 from outer mitochondrial and microsomal membrane. Biopolymers. 69: 260-9. PMID 12767127 DOI: 10.1002/Bip.10360 |
0.562 |
|
| 2003 |
Yang X, Hu Y, Yin DH, Turner MA, Wang M, Borchardt RT, Howell PL, Kuczera K, Schowen RL. Catalytic strategy of S-adenosyl-L-homocysteine hydrolase: transition-state stabilization and the avoidance of abortive reactions. Biochemistry. 42: 1900-9. PMID 12590576 DOI: 10.1021/Bi0262350 |
0.506 |
|
| 2002 |
Yang C, Kuczera K. Molecular dynamics simulations of a calmodulin-peptide complex in solution. Journal of Biomolecular Structure & Dynamics. 20: 179-97. PMID 12354070 DOI: 10.1080/07391102.2002.10506834 |
0.419 |
|
| 2002 |
Jas GS, Kuczera K. Free-energy simulations of the oxidation of c-terminal methionines in calmodulin. Proteins. 48: 257-68. PMID 12112694 DOI: 10.1002/Prot.10133 |
0.381 |
|
| 2002 |
Yang C, Kuczera K. Molecular dynamics simulations of calcium-free calmodulin in solution. Journal of Biomolecular Structure & Dynamics. 19: 801-19. PMID 11922837 DOI: 10.1080/07391102.2002.10506786 |
0.366 |
|
| 2002 |
Mahadevan J, Xu C, Siahaan T, Kuczera K. Molecular dynamics simulations of conformational behavior of linear RGD peptidomimetics and cyclic prodrugs in aqueous and octane solutions Journal of Biomolecular Structure and Dynamics. 19: 775-788. PMID 11922835 DOI: 10.1080/07391102.2002.10506784 |
0.4 |
|
| 2001 |
Hu Y, Yang X, Yin DH, Mahadevan J, Kuczera K, Schowen RL, Borchardt RT. Computational characterization of substrate binding and catalysis in S-adenosylhomocysteine hydrolase. Biochemistry. 40: 15143-52. PMID 11735397 DOI: 10.1021/Bi015690D |
0.403 |
|
| 2001 |
Yang C, Jas GS, Kuczera K. Structure and dynamics of calcium-activated calmodulin in solution Journal of Biomolecular Structure and Dynamics. 19: 247-271. PMID 11697730 DOI: 10.1080/07391102.2001.10506736 |
0.386 |
|
| 2001 |
Altuve A, Silchenko S, Lee KH, Kuczera K, Terzyan S, Zhang X, Benson DR, Rivera M. Probing the differences between rat liver outer mitochondrial membrane cytochrome b5 and microsomal cytochromes b5. Biochemistry. 40: 9469-83. PMID 11583146 DOI: 10.1021/Bi010636I |
0.525 |
|
| 2001 |
Günther R, Hofmann HJ, Kuczera K. Searching for periodic structures in β-peptides Journal of Physical Chemistry B. 105: 5559-5567. DOI: 10.1021/Jp010021V |
0.35 |
|
| 2001 |
Mahadevan J, Lee K, Kuczera K. Conformational Free Energy Surfaces of Ala10and Aib10Peptide Helices in Solution The Journal of Physical Chemistry B. 105: 1863-1876. DOI: 10.1021/Jp002474Q |
0.408 |
|
| 2001 |
Mahadevan J, Lee KH, Kuczera K. Conformational free energy surfaces of alaio and aibio peptide helices in solution Journal of Physical Chemistry B. 105: 1863-1876. |
0.341 |
|
| 2000 |
Turner MA, Yang X, Yin D, Kuczera K, Borchardt RT, Howell PL. Structure and function of S-adenosylhomocysteine hydrolase. Cell Biochemistry and Biophysics. 33: 101-25. PMID 11325033 DOI: 10.1385/Cbb:33:2:101 |
0.345 |
|
| 2000 |
Rybak-Akimova EV, Kuczera K. Ligand binding inside the cavities of lacunar and saddle-shaped cyclidene complexes: molecular mechanics and molecular dynamics studies. Inorganic Chemistry. 39: 2462-72. PMID 11196997 DOI: 10.1021/Ic990738L |
0.351 |
|
| 2000 |
Lee KH, Benson DR, Kuczera K. Transitions from alpha to pi helix observed in molecular dynamics simulations of synthetic peptides. Biochemistry. 39: 13737-47. PMID 11076513 DOI: 10.1021/Bi001126B |
0.558 |
|
| 2000 |
Jas GS, Larson EJ, Johnson CK, Kuczera K. Microscopic details of rotational diffusion of perylene in organic solvents: Molecular dynamics simulation and experiment vs debye-stokes-einstein theory Journal of Physical Chemistry A. 104: 9841-9852. DOI: 10.1021/Jp001520J |
0.306 |
|
| 1999 |
Rybak-Akimova EV, Kuczera K, Jas GS, Deng Y, Busch DH. Molecular Shape and Solvation of the Lacunar, Saddle-Shaped, and Planar Metal Cyclidene Complexes: Molecular Dynamics Studies. Inorganic Chemistry. 38: 3423-3434. PMID 11671080 DOI: 10.1021/Ic9904485 |
0.316 |
|
| 1999 |
Wang Y, Goh SY, Kuczera K. Molecular dynamics study of disulfide bond influence on properties of an RGD peptide Journal of Peptide Research. 53: 188-200. PMID 10195456 DOI: 10.1034/j.1399-3011.1999.00029.x |
0.326 |
|
| 1999 |
Wang Y, Kuczera K. Conformational free energy surface of the linear DPDPE peptide: Cost of pre-organization for disulfide bond formation Theoretical Chemistry Accounts. 101: 274-281. DOI: 10.1007/S002140050441 |
0.447 |
|
| 1998 |
Hermone A, Kuczera K. Free-energy simulations of the retinal Cis → Trans isomerization in bacteriorhodopsin Biochemistry. 37: 2843-2853. PMID 9485435 DOI: 10.1021/Bi9717789 |
0.384 |
|
| 1997 |
Jas GS, Wang Y, Pauls SW, Johnson CK, Kuczera K. Influence of temperature and viscosity on anthracene rotational diffusion in organic solvents: Molecular dynamics simulations and fluorescence anisotropy study Journal of Chemical Physics. 107: 8800-8812. DOI: 10.1063/1.475172 |
0.31 |
|
| 1997 |
Wang Y, Kuczera K. Multidimensional Conformational Free Energy Surface Exploration: Helical States of Alanand AibnPeptides The Journal of Physical Chemistry B. 101: 5205-5213. DOI: 10.1021/Jp964027+ |
0.373 |
|
| 1996 |
Kuczera K. Free energy simulations of axial contacts in sickle-cell hemoglobin Biopolymers. 39: 221-242. PMID 8679951 DOI: 10.1002/(Sici)1097-0282(199608)39:2<221::Aid-Bip10>3.0.Co;2-H |
0.393 |
|
| 1996 |
Kuczera K. One- and multidimensional conformational free energy simulations Journal of Computational Chemistry. 17: 1726-1749. DOI: 10.1002/(Sici)1096-987X(19961130)17:15<1726::Aid-Jcc4>3.0.Co;2-R |
0.379 |
|
| 1996 |
Wang Y, Kuczera K. Molecular dynamics simulations of cyclic and linear DPDPE: Influence of the disulfide bond on peptide flexibility Journal of Physical Chemistry. 100: 2555-2563. |
0.304 |
|
| 1990 |
Kuczera K, Gao J, Tidor B, Karplus M. Free energy of sickling: A simulation analysis. Proceedings of the National Academy of Sciences of the United States of America. 87: 8481-5. PMID 2236057 DOI: 10.1073/Pnas.87.21.8481 |
0.318 |
|
| 1989 |
Gao J, Kuczera K, Tidor B, Karplus M. Hidden thermodynamics of mutant proteins: a molecular dynamics analysis. Science (New York, N.Y.). 244: 1069-72. PMID 2727695 DOI: 10.1126/Science.2727695 |
0.318 |
|
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