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Biochemistry|April 14, 2017
Using Ligand-Induced Protein Chemical Shift Perturbations To Determine Protein-Ligand StructuresZhuoqin Yu, Pengfei Li, Kenneth M MerzJournal of Chemical Theory and Computation|November 18, 2017
Extended Zinc AMBER Force Field (EZAFF)Zhuoqin Yu, Pengfei Li, Kenneth M MerzJournal of Chemical Theory and Computation|March 25, 2014
Taking into Account the Ion-induced Dipole Interaction in the Nonbonded Model of IonsPengfei Li, Kenneth M MerzJournal of Chemical Information and Modeling|February 26, 2016
MCPB.py: A Python Based Metal Center Parameter BuilderPengfei Li, Kenneth M MerzChemical Reviews|January 4, 2017
Metal Ion Modeling Using Classical MechanicsPengfei Li, Kenneth M MerzMethods in Molecular Biology (Clifton, N.J.)|October 30, 2020
Parameterization of a Dioxygen Binding Metal Site Using the MCPB.py ProgramPengfei Li, Kenneth M MerzJournal of Chemical Theory and Computation|November 18, 2015
Systematic Parameterization of Monovalent Ions Employing the Nonbonded ModelPengfei Li, Lin Frank Song, Kenneth M MerzThe Journal of Physical Chemistry. B|August 23, 2014
Parameterization of highly charged metal ions using the 12-6-4 LJ-type nonbonded model in explicit waterPengfei Li, Lin Frank Song, Kenneth M MerzJournal of Chemical Theory and Computation|February 19, 2015
KECSA-Movable Type Implicit Solvation Model (KMTISM)Zheng Zheng, Ting Wang, Pengfei Li, et al.Journal of Chemical Theory and Computation|April 1, 2021
Parametrization of Trivalent and Tetravalent Metal Ions for the OPC3, OPC, TIP3P-FB, and TIP4P-FB Water ModelsZhen Li, Lin Frank Song, Pengfei Li, et al.Pageof 213