关注
Pratul Agarwal
Pratul Agarwal
Oklahoma State University and Arium Biolabs
在 okstate.edu 的电子邮件经过验证 - 首页
标题
引用次数
引用次数
年份
Network of coupled promoting motions in enzyme catalysis
PK Agarwal, SR Billeter, PTR Rajagopalan, SJ Benkovic, ...
Proceedings of the National Academy of Sciences 99 (5), 2794-2799, 2002
5592002
Enzymes: An integrated view of structure, dynamics and function
PK Agarwal
Microbial cell factories 5, 1-12, 2006
2442006
Role of protein dynamics in reaction rate enhancement by enzymes
PK Agarwal
Journal of the American Chemical Society 127 (43), 15248-15256, 2005
2322005
Hydride transfer in liver alcohol dehydrogenase: quantum dynamics, kinetic isotope effects, and role of enzyme motion
SR Billeter, SP Webb, PK Agarwal, T Iordanov, S Hammes-Schiffer
Journal of the American Chemical Society 123 (45), 11262-11272, 2001
2282001
Nuclear quantum effects and enzyme dynamics in dihydrofolate reductase catalysis
PK Agarwal, SR Billeter, S Hammes-Schiffer
The Journal of Physical Chemistry B 106 (12), 3283-3293, 2002
2132002
Computational studies of the mechanism for proton and hydride transfer in liver alcohol dehydrogenase
PK Agarwal, SP Webb, S Hammes-Schiffer
Journal of the American Chemical Society 122 (19), 4803-4812, 2000
2032000
Effect of mutation on enzyme motion in dihydrofolate reductase
JB Watney, PK Agarwal, S Hammes-Schiffer
Journal of the American Chemical Society 125 (13), 3745-3750, 2003
1482003
Hybrid approach for including electronic and nuclear quantum effects in molecular dynamics simulations of hydrogen transfer reactions in enzymes
SR Billeter, SP Webb, T Iordanov, PK Agarwal, S Hammes-Schiffer
The Journal of Chemical Physics 114 (15), 6925-6936, 2001
1482001
Nanoscale ferroelectricity in crystalline γ‐glycine
A Heredia, V Meunier, IK Bdikin, J Gracio, N Balke, S Jesse, A Tselev, ...
Advanced Functional Materials 22 (14), 2996-3003, 2012
1432012
Evolutionarily conserved linkage between enzyme fold, flexibility, and catalysis
A Ramanathan, PK Agarwal
PLoS biology 9 (11), e1001193, 2011
1272011
A biophysical perspective on enzyme catalysis
PK Agarwal
Biochemistry 58 (6), 438-449, 2019
1252019
Protein dynamics and enzymatic catalysis: Investigating the peptidyl− prolyl cis− trans isomerization activity of cyclophilin A
PK Agarwal, A Geist, A Gorin
Biochemistry 43 (33), 10605-10618, 2004
1222004
Using FPGA devices to accelerate biomolecular simulations
SR Alam, PK Agarwal, MC Smith, JS Vetter, D Caliga
Computer 40 (3), 66-73, 2007
1142007
Protein conformational populations and functionally relevant substates
A Ramanathan, A Savol, V Burger, CS Chennubhotla, PK Agarwal
Accounts of chemical research 47 (1), 149-156, 2014
1122014
Oxygen activation at the active site of a fungal lytic polysaccharide monooxygenase
WB O'Dell, PK Agarwal, F Meilleur
Angewandte Chemie International Edition 56 (3), 767-770, 2017
912017
Discovering conformational sub-states relevant to protein function
A Ramanathan, A Savol, P Agarwal, CS Chennubhotla
Biophysical Journal 100 (3), 172a, 2011
842011
Cis/trans isomerization in HIV‐1 capsid protein catalyzed by cyclophilin A: Insights from computational and theoretical studies
PK Agarwal
Proteins: Structure, Function, and Bioinformatics 56 (3), 449-463, 2004
702004
Combining electronic structure methods with the calculation of hydrogen vibrational wavefunctions: Application to hydride transfer in liver alcohol dehydrogenase
SP Webb, PK Agarwal, S Hammes-Schiffer
The Journal of Physical Chemistry B 104 (37), 8884-8894, 2000
642000
Computational identification of slow conformational fluctuations in proteins
A Ramanathan, PK Agarwal
The journal of physical chemistry B 113 (52), 16669-16680, 2009
632009
Allosteric communication in class A β-lactamases occurs via cooperative coupling of loop dynamics
I Galdadas, S Qu, ASF Oliveira, E Olehnovics, AR Mack, MF Mojica, ...
Elife 10, e66567, 2021
492021
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