Ray Luo Lab
Ray Luo Lab
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Yong Duan
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Accurate Reproduction of Quantum Mechanical Many-Body Interactions in Peptide Main-Chain Hydrogen-Bonding Oligomers by the Polarizable Gaussian Multipole Model
PyRESP: A flexible program for polarizable force field parameterizations
Stress tensor and constant pressure simulation for polarizable Gaussian multipole model
Efficient formulation of polarizable Gaussian multipole electrostatics for biomolecular simulations
Development of Polarizable Models for Molecular Mechanical Calculations. 4. van der Waals Parametrization
A point‐charge force field for molecular mechanics simulations of proteins based on condensed‐phase quantum mechanical calculations
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