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The Journal of Physical Chemistry. B|February 6, 2010
Balancing simulation accuracy and efficiency with the Amber united atom force fieldMeng-Juei Hsieh, Ray LuoJournal of Computational Chemistry|March 21, 2017
Numerical interpretation of molecular surface field in dielectric modeling of solvationChanghao Wang, Li Xiao, Ray LuoPhysical Chemistry Chemical Physics : PCCP|October 25, 2012
Dielectric pressure in continuum electrostatic solvation of biomoleculesQin Cai, Xiang Ye, Ray LuoJournal of Chemical Theory and Computation|September 13, 2021
Machine-Learned Molecular Surface and Its Application to Implicit Solvent SimulationsHaixin Wei, Zekai Zhao, Ray LuoJournal of Chemical Theory and Computation|October 6, 2025
End-to-End Modeling of Reaction Field Energy Using Data-Driven Geometric Graph Neural NetworksYongxian Wu, Qiang Zhu, Ray LuoThe Journal of Physical Chemistry. B|September 15, 2006
How well does Poisson-Boltzmann implicit solvent agree with explicit solvent? A quantitative analysisChunhu Tan, Lijiang Yang, Ray LuoJournal of Chemical Theory and Computation|April 12, 2014
A revised density function for molecular surface definition in continuum solvent modelsXiang Ye, Jun Wang, Ray LuoBiophysical Journal|May 25, 2025
Extending MMPBSA for membrane proteins: Addressing P2Y12R conformational changes upon ligand bindingCizhang Zhao, Tianhong Wang, Ray LuoJournal of Computational Chemistry|February 19, 2019
An efficient second-order poisson-boltzmann methodHaixin Wei, Ray Luo, Ruxi QiJournal of Chemical Theory and Computation|April 7, 2025
Isotropic Periodic Sum for Polarizable Gaussian Multipole ModelZhen Huang, Xiongwu Wu, Ray LuoPageof 15