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Jingzhi Pu | doi.page

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Jingzhi Pu

Shanghai Jiao Tong University(CN)Indiana University Indianapolis(US)Indiana University – Purdue University Indianapolis(US)

Publications by Year

Research Areas

Protein Structure and Dynamics, Advanced Chemical Physics Studies, Spectroscopy and Quantum Chemical Studies, Machine Learning in Materials Science, DNA and Nucleic Acid Chemistry

Most-Cited Works

→ CHARMM: The biomolecular simulation program(2009)8,960 cited
→ Mechanisms and Free Energies of Enzymatic Reactions(2006)402 cited
→ Multidimensional Tunneling, Recrossing, and the Transmission Coefficient for Enzymatic Reactions(2006)342 cited
→ Tests of second-generation and third-generation density functionals for thermochemical kineticsElectronic supplementary information (ESI) available: Mean errors for pure and hybrid DFT methods. See http://www.rsc.org/suppdata/cp/b3/b316260e/(2004)265 cited
→ Generalized Hybrid Orbital (GHO) Method for Combining Ab Initio Hartree−Fock Wave Functions with Molecular Mechanics(2004)144 cited
→ How subunit coupling produces the γ-subunit rotary motion in F ₁ -ATPase(2008)124 cited

→ Small Temperature Dependence of the Kinetic Isotope Effect for the Hydride Transfer Reaction Catalyzed by Escherichia coli Dihydrofolate Reductase(2005)

115 cited

→ Development of a Polarizable Intermolecular Potential Function (PIPF) for Liquid Amides and Alkanes(2007)114 cited

→ Machine-Learning-Assisted Free Energy Simulation of Solution-Phase and Enzyme Reactions(2021)105 cited

→ Combining Self-Consistent-Charge Density-Functional Tight-Binding (SCC-DFTB) with Molecular Mechanics by the Generalized Hybrid Orbital (GHO) Method(2004)96 cited