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List of works by Pengfei Li

Extended Zinc AMBER Force Field (EZAFF).

scientific article published on 17 November 2017

Formation of an unusual glutamine tautomer in a blue light using flavin photocycle characterizes the light-adapted state

scientific article published on 09 October 2020

Fundamental Insights into Proton-Coupled Electron Transfer in Soybean Lipoxygenase from Quantum Mechanical/Molecular Mechanical Free Energy Simulations

scientific article published on 2 February 2018

Impact of Mutations on the Binding Pocket of Soybean Lipoxygenase: Implications for Proton-Coupled Electron Transfer

scientific article published on 29 October 2018

KECSA-Movable Type Implicit Solvation Model (KMTISM).

scientific article

MCPB.py: A Python Based Metal Center Parameter Builder

scientific article

Metal Ion Capture Mechanism of a Copper Metallochaperone

scientific article published on 21 December 2015

Metal Ion Modeling Using Classical Mechanics

scientific article

Parameterization of highly charged metal ions using the 12-6-4 LJ-type nonbonded model in explicit water

scientific article

Parametrization of Trivalent and Tetravalent Metal Ions for the OPC3, OPC, TIP3P-FB, and TIP4P-FB Water Models

scientific article published on 01 April 2021

Rational Design of Particle Mesh Ewald Compatible Lennard-Jones Parameters for +2 Metal Cations in Explicit Solvent

scientific article published on June 2013

Systematic Parameterization of Monovalent Ions Employing the Nonbonded Model

article

Taking into Account the Ion-induced Dipole Interaction in the Nonbonded Model of Ions

scientific article published on January 2014

Using Ligand-Induced Protein Chemical Shift Perturbations To Determine Protein-Ligand Structures

scientific article published on 13 April 2017

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