Jingzhi Pu
Jingzhi Pu
Associate Professor of Chemistry and Chemical Biology, IUPUI
Verified email at iupui.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
64012009
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
3922006
Multidimensional tunneling, recrossing, and the transmission coefficient for enzymatic reactions
J Pu, J Gao, DG Truhlar
Chemical reviews 106 (8), 3140-3169, 2006
3362006
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
2452004
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
1632004
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
1322007
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
1222005
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
1102008
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
1102004
Polyrate
J Zheng, S Zhang, BJ Lynch, JC Corchado, YY Chuang, PL Fast, WP Hu, ...
University of Minnesota, 2010
1002010
Parametrized direct dynamics study of rate constants of H with from 250 to 2400 K
J Pu, DG Truhlar
The Journal of chemical physics 116 (4), 1468-1478, 2002
862002
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
832006
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
832002
Generalized hybrid-orbital method for combining density functional theory with molecular mechanicals
J Pu, J Gao, DG Truhlar
Chemphyschem: a European journal of chemical physics and physical chemistry …, 2005
752005
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
732004
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
682005
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
622005
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
622001
Polyrate 2010-a
J Zheng, S Zhang, BJ Lynch, JC Corchado, YY Chuang, PL Fast, WP Hu, ...
University of Minnesota, Minneapolis, MN, 2010
522010
Trapping the ATP binding state leads to a detailed understanding of the F1-ATPase mechanism
K Nam, J Pu, M Karplus
Proceedings of the National Academy of Sciences 111 (50), 17851-17856, 2014
462014
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