Pratul Agarwal
Pratul Agarwal
Oklahoma State University and Arium BioLabs
Verified email at okstate.edu - Homepage
Title
Cited by
Cited by
Year
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
4872002
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
2122001
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
1922002
Role of protein dynamics in reaction rate enhancement by enzymes
PK Agarwal
Journal of the American Chemical Society 127 (43), 15248-15256, 2005
1842005
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
1712000
Enzymes: An integrated view of structure, dynamics and function
PK Agarwal
Microbial Cell Factories 5 (1), 2, 2006
1662006
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
1362003
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
1342001
Using FPGA devices to accelerate biomolecular simulations
SR Alam, PK Agarwal, MC Smith, JS Vetter, D Caliga
Computer 40 (3), 66-73, 2007
1012007
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
962012
Evolutionarily conserved linkage between enzyme fold, flexibility, and catalysis
A Ramanathan, PK Agarwal
PLoS Biol 9 (11), e1001193, 2011
952011
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
952004
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
782014
Discovering conformational sub-states relevant to protein function
A Ramanathan, AJ Savol, CJ Langmead, PK Agarwal, CS Chennubhotla
PLoS One 6 (1), e15827, 2011
632011
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
612004
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
572000
Computational identification of slow conformational fluctuations in proteins
A Ramanathan, PK Agarwal
The journal of physical chemistry B 113 (52), 16669-16680, 2009
562009
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
502017
Performance characterization of molecular dynamics techniques for biomolecular simulations
SR Alam, JS Vetter, PK Agarwal, A Geist
Proceedings of the eleventh ACM SIGPLAN symposium on Principles and practice …, 2006
322006
A biophysical perspective on enzyme catalysis
PK Agarwal
Biochemistry 58 (6), 438-449, 2019
312019
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Articles 1–20