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Proceedings of the National Academy of Sciences of the United States of America|January 25, 2008
How subunit coupling produces the gamma-subunit rotary motion in F1-ATPaseJingzhi Pu, Martin KarplusJournal of Chemical Theory and Computation|November 21, 2015
Reaction Path Force Matching: A New Strategy of Fitting Specific Reaction Parameters for Semiempirical Methods in Combined QM/MM SimulationsYan Zhou, Jingzhi PuThe Journal of Physical Chemistry. A|July 15, 2006
Benchmark calculations of reaction energies, barrier heights, and transition-state geometries for hydrogen abstraction from methanol by a hydrogen atomJingzhi Pu, Donald G TruhlarJournal of Chemical Theory and Computation|November 19, 2015
Isotropic Periodic Sum Treatment of Long-Range Electrostatic Interactions in Combined Quantum Mechanical and Molecular Mechanical CalculationsPedro Ojeda-May, Jingzhi PuThe Journal of Chemical Physics|May 3, 2014
Assessing the accuracy of the isotropic periodic sum method through Madelung energy computationPedro Ojeda-May, Jingzhi PuBiophysical Chemistry|September 14, 2013
Replica exchange molecular dynamics simulations of an α/β-type small acid soluble protein (SASP)P Ojeda-May, Jingzhi PuThe Journal of Chemical Physics|November 9, 2015
Treating electrostatics with Wolf summation in combined quantum mechanical and molecular mechanical simulationsPedro Ojeda-May, Jingzhi PuJournal of Chemical Theory and Computation|December 8, 2015
Use of Block Hessians for the Optimization of Molecular GeometriesJingzhi Pu, Donald G TruhlarProceedings of the National Academy of Sciences of the United States of America|December 3, 2014
Trapping the ATP binding state leads to a detailed understanding of the F1-ATPase mechanismKwangho Nam, Jingzhi Pu, Martin KarplusBiophysical Chemistry|March 18, 2023
Revealing intrinsic changes of DNA induced by spore photoproduct lesion through computer simulationMellisa Hege, Lei Li, Jingzhi PuPageof 5