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Jingzhi Pu 濮憬智
Jingzhi Pu 濮憬智
Associate Professor of Chemistry and Chemical Biology, IU Indianapolis
Verified email at iu.edu - Homepage
Title
Cited by
Cited by
Year
CHARMM: the biomolecular simulation program
BR Brooks, CL Brooks III, AD Mackerell Jr, L Nilsson, RJ Petrella, B Roux, ...
Journal of computational chemistry 30 (10), 1545-1614, 2009
86962009
Mechanisms and free energies of enzymatic reactions
J Gao, S Ma, DT Major, K Nam, J Pu, DG Truhlar
Chemical reviews 106 (8), 3188-3209, 2006
4552006
Multidimensional tunneling, recrossing, and the transmission coefficient for enzymatic reactions
J Pu, J Gao, DG Truhlar
Chemical reviews 106 (8), 3140-3169, 2006
3952006
Tests of second-generation and third-generation density functionals for thermochemical kinetics
Y Zhao, J Pu, BJ Lynch, DG Truhlar
Physical Chemistry Chemical Physics 6 (4), 673-676, 2004
2802004
Generalized hybrid orbital (GHO) method for combining ab initio Hartree− Fock wave functions with molecular mechanics
J Pu, J Gao, DG Truhlar
The Journal of Physical Chemistry A 108 (4), 632-650, 2004
1782004
Development of a polarizable intermolecular potential function (PIPF) for liquid amides and alkanes
W Xie, J Pu, AD MacKerell Jr, J Gao
Journal of chemical theory and computation 3 (6), 1878-1889, 2007
1422007
Polyrate-version 2017-C
J Zheng, JL Bao, R Meana-Paņeda, S Zhang, BJ Lynch, JC Corchado, ...
University of Minnesota, Minneapolis, MN, 2017
1402017
Small Temperature Dependence of the Kinetic Isotope Effect for the Hydride Transfer Reaction Catalyzed by Escherichia coli Dihydrofolate Reductase
J Pu, S Ma, J Gao, DG Truhlar
The Journal of Physical Chemistry B 109 (18), 8551-8556, 2005
1362005
How subunit coupling produces the γ-subunit rotary motion in F1-ATPase
J Pu, M Karplus
Proceedings of the National Academy of Sciences 105 (4), 1192-1197, 2008
1232008
Combining self-consistent-charge density-functional tight-binding (SCC-DFTB) with molecular mechanics by the generalized hybrid orbital (GHO) method
J Pu, J Gao, DG Truhlar
The Journal of Physical Chemistry A 108 (25), 5454-5463, 2004
1222004
Polyrate
J Zheng, S Zhang, BJ Lynch, JC Corchado, YY Chuang, PL Fast, WP Hu, ...
University of Minnesota, Minneapolis, 2010
1202010
Hydride transfer reaction catalyzed by hyperthermophilic dihydrofolate reductase is dominated by quantum mechanical tunneling and is promoted by both inter-and intramonomeric …
J Pang, J Pu, J Gao, DG Truhlar, RK Allemann
Journal of the American Chemical Society 128 (24), 8015-8023, 2006
932006
Generalized hybrid‐orbital method for combining density functional theory with molecular mechanicals
J Pu, J Gao, DG Truhlar
ChemPhysChem 6 (9), 1853-1865, 2005
912005
Validation of variational transition state theory with multidimensional tunneling contributions against accurate quantum mechanical dynamics for H+ CH 4→ H 2+ CH 3 in an …
J Pu, DG Truhlar
The Journal of chemical physics 117 (4), 1479-1481, 2002
892002
Parametrized direct dynamics study of rate constants of H with CH4 from 250 to 2400 K
J Pu, DG Truhlar
The Journal of chemical physics 116 (4), 1468-1478, 2002
882002
Benchmark results for hydrogen atom transfer between carbon centers and validation of electronic structure methods for bond energies and barrier heights
A Dybala-Defratyka, P Paneth, J Pu, DG Truhlar
The Journal of Physical Chemistry A 108 (13), 2475-2486, 2004
842004
Nonperfect synchronization of reaction center rehybridization in the transition state of the hydride transfer catalyzed by dihydrofolate reductase
J Pu, S Ma, M Garcia-Viloca, J Gao, DG Truhlar, A Kohen
Journal of the American Chemical Society 127 (42), 14879-14886, 2005
732005
Machine-Learning-Assisted Free Energy Simulation of Solution-Phase and Enzyme Reactions
X Pan, J Yang, R Van, E Epifanovsky, J Ho, J Huang, J Pu, Y Mei, K Nam, ...
Journal of Chemical Theory and Computation 17 (9), 5745–5758, 2021
722021
Benchmark calculations of reaction energies, barrier heights, and transition-state geometries for hydrogen abstraction from methanol by a hydrogen atom
J Pu, DG Truhlar
The Journal of Physical Chemistry A 109 (5), 773-778, 2005
712005
Test of variational transition state theory with multidimensional tunneling contributions against an accurate full-dimensional rate constant calculation for a six-atom system
J Pu, JC Corchado, DG Truhlar
The Journal of Chemical Physics 115 (13), 6266-6267, 2001
672001
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