List of works - Yong Duan - Paulina

List of works by Yong Duan

<i>PyRESP</i>: A Program for Electrostatic Parameterizations of Additive and Induced Dipole Polarizable Force Fields

scientific article published on 10 May 2022

Accurate Reproduction of Quantum Mechanical Many-Body Interactions in Peptide Main-Chain Hydrogen-Bonding Oligomers by the Polarizable Gaussian Multipole Model

scientific article published in 2022

Development of Polarizable Gaussian Model for Molecular Mechanical Calculations I: Atomic Polarizability Parameterization To Reproduce ab Initio Anisotropy

scientific article published on 04 February 2019

Efficient formulation of polarizable Gaussian multipole electrostatics for biomolecular simulations

scientific article published on 01 September 2020

Key residues in TLR4-MD2 tetramer formation identified by free energy simulations

scientific article published on 14 October 2019

Stress tensor and constant pressure simulation for polarizable Gaussian multipole model

scientific article published in 2022

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