Krzysztof Kuczera - Publications

Affiliations: 
Biochemistry & Molecular Biology University of Kansas, Lawrence, KS, United States 
Area:
Molecular Biology, Evolution and Development Biology, Biochemistry

104 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 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  0.4
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  0.4
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  0.4
2016 Lee BL, Kuczera K, Middaugh CR, Jas GS. Publisher's Note: "Permeation of the three aromatic dipeptides through lipid bilayers: Experimental and computational study" [J. Chem. Phys. 144, 245103 (2016)]. The Journal of Chemical Physics. 145: 059902. PMID 27497582 DOI: 10.1063/1.4960183  0.4
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
2013 Kuczera K. Milestoning simulation reveals mechanism of helix-breaking. Biophysical Journal. 105: 832. PMID 23972831 DOI: 10.1016/j.bpj.2013.06.034  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
2011 Hegefeld WA, Kuczera K, Jas GS. Structural dynamics of neuropeptide hPYY. Biopolymers. 95: 487-502. PMID 21360523 DOI: 10.1002/bip.21608  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
2009 Brooks BR, Brooks CL, Mackerell AD, Nilsson L, Petrella RJ, Roux B, Won Y, Archontis G, Bartels C, Boresch S, Caflisch A, Caves L, Cui Q, Dinner AR, Feig M, ... ... Kuczera K, et al. CHARMM: the biomolecular simulation program. Journal of Computational Chemistry. 30: 1545-614. PMID 19444816 DOI: 10.1002/jcc.21287  1
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  1
2009 Laird BB, Houndonougbo YA, Kuczera K. Phase equilibrium, structure, and transport properties of carbon-dioxide expanded liquids: A molecular simulation study Acs Symposium Series. 1006: 41-65. DOI: 10.1021/bk-2009-1006.ch002  1
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  1
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  1
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  1
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  1
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  1
2007 Houndonougbo Y, Laird BB, Kuczera K. Transport properties of CO2-expanded acetonitrile from molecular dynamics simulations. The Journal of Chemical Physics. 126: 074507. PMID 17328620 DOI: 10.1063/1.2434968  1
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  1
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  1
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  1
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  1
2006 Houndonougbo Y, Kuczera K, Laird BB. Computer simulations of phase equilibria and transport properties in carbon-dioxide expanded acetonitrile Aiche Annual Meeting, Conference Proceedings 1
2005 Richter ML, Samra HS, He F, Giessel AJ, Kuczera KK. Coupling proton movement to ATP synthesis in the chloroplast ATP synthase. Journal of Bioenergetics and Biomembranes. 37: 467-73. PMID 16691485 DOI: 10.1007/s10863-005-9493-9  1
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  1
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  1
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  1
2005 Laird BB, Houndonougbo Y, Guo J, Lushington G, Kuczera K. Phase equilibria and transport in carbon dioxide-expanded solvents Aiche Annual Meeting, Conference Proceedings. 10637-10643.  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
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  1
2002 Makagiansar IT, Nguyen PD, Ikesue A, Kuczera K, Dentler W, Urbauer JL, Galeva N, Alterman M, Siahaan TJ. Disulfide bond formation promotes the cis- and trans-dimerization of the E-cadherin-derived first repeat. The Journal of Biological Chemistry. 277: 16002-10. PMID 11856755 DOI: 10.1074/jbc.M200916200  1
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  1
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  1
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  1
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  1
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.  1
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  1
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  1
2000 Yin D, Yang X, Hu Y, Kuczera K, Schowen RL, Borchardt RT, Squier TC. Substrate binding stabilizes S-adenosylhomocysteine hydrolase in a closed conformation. Biochemistry. 39: 9811-8. PMID 10933798 DOI: 10.1021/bi000595a  1
2000 Jensen JL, Kuczera K, Roy S, Schöneich C. Metal-catalyzed oxidation of brain-derived neurotrophic factor (BDNF): selectivity and conformational consequences of histidine modification. Cellular and Molecular Biology (Noisy-Le-Grand, France). 46: 685-96. PMID 10872755  1
2000 Yin D, Kuczera K, Squier TC. The sensitivity of carboxyl-terminal methionines in calmodulin isoforms to oxidation by H2O2 modulates the ability to activate the plasma membrane Ca-ATPase Chemical Research in Toxicology. 13: 103-110. PMID 10688534 DOI: 10.1021/tx990142a  1
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: 2462-2472. DOI: 10.1021/ic990738l  1
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.  1
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  0.4
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  1
1999 Wiórkiewicz-Kuczera J, Kuczera K, Bazzicalupi C, Bencini A, Valtancoli B, Bianchi A, Bowman-James K. Solid state to solution: Crystal structure and molecular dynamics simulations of a polyammonium nitrate host New Journal of Chemistry. 23: 1007-1013. DOI: 10.1039/a906736a  1
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.  1
1998 MacKerell AD, Bashford D, Bellott M, Dunbrack RL, Evanseck JD, Field MJ, Fischer S, Gao J, Guo H, Ha S, Joseph-McCarthy D, Kuchnir L, Kuczera K, Lau FT, Mattos C, et al. All-atom empirical potential for molecular modeling and dynamics studies of proteins. The Journal of Physical Chemistry. B. 102: 3586-616. PMID 24889800 DOI: 10.1021/jp973084f  1
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  1
1998 Mason S, Clifford T, Seib L, Kuczera K, Bowman-James K. Unusual encapsulation of two nitrates in a single bicyclic cage [8] Journal of the American Chemical Society. 120: 8899-8900. DOI: 10.1021/ja9811593  1
1998 Miller BL, Kuczera K, Schöneich C. One-electron photooxidation of N-methionyl peptides. Mechanism of sulfoxide and azasulfonium diastereomer formation through reaction of sulfide radical cation complexes with oxygen or superoxide Journal of the American Chemical Society. 120: 3345-3356. DOI: 10.1021/ja973084t  1
1997 Jas GS, Kuczera K. Ab initio calculations of S1 excited state vibrational spectra of benzene, naphthalene and anthracene Chemical Physics. 214: 229-241.  1
1997 Wang Y, Kuczera K. Multidimensional conformational free energy surface exploration: Helical states of Alan and Aibn peptides Journal of Physical Chemistry B. 101: 5205-5213.  1
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.  1
1996 Kuczera K. Free energy simulations of axial contacts in sickle-cell hemoglobin Biopolymers. 39: 221-242. PMID 8679951  1
1996 Yao Y, Yin D, Jas GS, Kuczera K, Williams TD, Schöneich C, Squier TC. Oxidative modification of a carboxyl-terminal vicinal methionine in calmodulin by hydrogen peroxide inhibits calmodulin-dependent activation of the plasma membrane Ca-ATPase Biochemistry. 35: 2767-2787. PMID 8611584 DOI: 10.1021/bi951712i  1
1996 Papoyan G, Gu K, Wiorkiewicz-Kuczera J, Kuczera K, Bowman-James K. Molecular dynamics simulations of nitrate complexes with polyammonium macrocycles: Insight on phosphoryl transfer catalysis Journal of the American Chemical Society. 118: 1354-1364. DOI: 10.1021/ja9500567  1
1996 Kuczera K. One- and multidimensional conformational free energy simulations Journal of Computational Chemistry. 17: 1726-1749.  1
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.  1
1996 Jas GS, Wan C, Kuczera K, Johnson CK. Picosecond time-resolved fourier-transform Raman spectroscopy and normal-mode analysis of the ground state and singlet excited state of anthracene Journal of Physical Chemistry. 100: 11857-11862.  1
1993 Kuczera K, Lambry JC, Martin JL, Karplus M. Nonexponential relaxation after ligand dissociation from myoglobin: A molecular dynamics simulation Proceedings of the National Academy of Sciences of the United States of America. 90: 5805-5807. PMID 8516332  1
1991 Petrich JW, Lambry JC, Kuczera K, Karplus M, Poyart C, Martin JL. Ligand binding and protein relaxation in heme proteins: a room temperature analysis of NO geminate recombination. Biochemistry. 30: 3975-87. PMID 2018766  1
1990 Kuczera K, Kuriyan J, Karplus M. Temperature dependence of the structure and dynamics of myoglobin. A simulation approach. Journal of Molecular Biology. 213: 351-73. PMID 2342112 DOI: 10.1016/S0022-2836(05)80196-2  1
1990 Smith J, Kuczera K, Karplus M. Dynamics of myoglobin: Comparison of simulation results with neutron scattering spectra Proceedings of the National Academy of Sciences of the United States of America. 87: 1601-1605. PMID 2304919  1
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  1
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  1
1989 Smith J, Kuczera K, Tidor B, Doster W, Cusack S, Karplus M. Internal dynamics of globular proteins: Comparison of neutron scattering measurements and theoretical models Physica B: Physics of Condensed Matter. 156: 437-443. DOI: 10.1016/0921-4526(89)90699-6  1
1988 Kuczera K, Szczesniak M, Szczepaniak K. Calculation of the vibrational spectra of cytosine derivatives by the CNDO/2 force method. Part III. Planar vibrations of cytosine Journal of Molecular Structure. 172: 101-112. DOI: 10.1016/0022-2860(88)87009-1  1
1988 Kuczera K, Szczesniak M, Szczepaniak K. Calculation of the vibrational spectra of cytosine derivatives by the CNDO/2 force method. Part II. Planar vibrations of 5-fluorocytosine Journal of Molecular Structure. 172: 89-99. DOI: 10.1016/0022-2860(88)87008-X  1
1988 Kuczera K, Szczesniak M, Szczepaniak K. Calculation of the vibrational spectra of cytosine derivatives by the CNDO/2 force method. Part I. Planar vibrations of 1-methylcytosine Journal of Molecular Structure. 172: 73-88. DOI: 10.1016/0022-2860(88)87007-8  1
1987 Kuczera K. Uniquely defined harmonic force constants in redundant coordinates Journal of Molecular Structure. 160: 159-177. DOI: 10.1016/0022-2860(87)87014-X  1
1986 Czermiínski R, Kuczera K, Rostkowska H, Nowak MJ, Szczepaniak K. Autoassociates and tautomerism of 2-oxo-5-halogenopyrimidines: theoretical and experimental investigations Journal of Molecular Structure. 140: 235-251. DOI: 10.1016/0022-2860(86)87007-7  1
1984 Kuczera K. Linear force constants in harmonic force fields Journal of Molecular Structure. 117: 11-18. DOI: 10.1016/0022-2860(84)87238-5  1
1983 Sobolewski AL, Czermlnski R, Kuczera K. On the nature of the background absorption in vibrational overtone spectroscopy Molecular Physics. 50: 971-979. DOI: 10.1080/00268978300102791  1
1983 Kuczera K, Czermiński R. Properties of quadratic force fields in redundant coordinates Journal of Molecular Structure: Theochem. 105: 269-280. DOI: 10.1016/0166-1280(83)80205-X  1
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