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The Journal of Physical Chemistry. A|January 7, 2009
A coupled polarization-matrix inversion and iteration approach for accelerating the dipole convergence in a polarizable potential functionWangshen Xie, Jingzhi Pu, Jiali GaoJournal of Chemical Theory and Computation|November 1, 2021
Doubly Polarized QM/MM with Machine Learning Chaperone PolarizabilityBryant Kim, Yihan Shao, Jingzhi PuChemphyschem : a European Journal of Chemical Physics and Physical Chemistry|August 9, 2005
Generalized hybrid-orbital method for combining density functional theory with molecular mechanicalsJingzhi Pu, Jiali Gao, Donald G TruhlarPhysical Chemistry Chemical Physics : PCCP|August 20, 2013
H-loop histidine catalyzes ATP hydrolysis in the E. coli ABC-transporter HlyBYan Zhou, Pedro Ojeda-May, Jingzhi PuApplied Spectroscopy|March 21, 2020
Identifying Thermal Decomposition Products of Nitrate Ester Explosives Using Gas Chromatography-Vacuum Ultraviolet Spectroscopy: An Experimental and Computational StudyCourtney A Cruse, Jingzhi Pu, John V GoodpasterChemistry (Weinheim an Der Bergstrasse, Germany)|May 17, 2012
Expanding the horizon of the thymine isostere biochemistry: unique cyclobutane dimers formed by photoreaction between a thymine and a toluene residue in the dinucleotide frameworkDegang Liu, Yan Zhou, Jingzhi Pu, et al.The Journal of Physical Chemistry. B|July 10, 2024
DFT/MM Simulations for Cycloreversion Reaction of Cyclobutane Pyrimidine Dimer with Deprotonated and Protonated E283Pei Xue, Donglian Huang, Jingzhi Pu, et al.The Journal of Physical Chemistry. B|July 21, 2006
Small temperature dependence of the kinetic isotope effect for the hydride transfer reaction catalyzed by Escherichia coli dihydrofolate reductaseJingzhi Pu, Shuhua Ma, Jiali Gao, et al.Journal of Chemical Theory and Computation|October 30, 2008
Development of a polarizable intermolecular potential function (PIPF) for liquid amides and alkanesWangshen Xie, Jingzhi Pu, Alexander D Mackerell, et al.Physical Chemistry Chemical Physics : PCCP|October 12, 2022
Facilitating ab initio QM/MM free energy simulations by Gaussian process regression with derivative observationsRyan Snyder, Bryant Kim, Xiaoliang Pan, et al.Pageof 5