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Journal of Molecular Modeling
|
July 9, 2013
Equilibrium and folding simulations of NS4B H2 in pure water and water/2,2,2-trifluoroethanol mixed solvent: examination of solvation models
Man Guo, Ye Mei
Accounts of Chemical Research
|
June 3, 2014
Some practical approaches to treating electrostatic polarization of proteins
Changge Ji, Ye Mei
Journal of Chemical Theory and Computation
|
October 27, 2018
Predicting Relative Binding Affinity Using Nonequilibrium QM/MM Simulations
Meiting Wang, Ye Mei, Ulf Ryde
Journal of Molecular Modeling
|
June 15, 2019
Discovery of SBF1 as an allosteric inhibitor targeting the PIF-pocket of 3-phosphoinositide-dependent protein kinase-1
Wei Liu, Pengfei Li, Ye Mei
Journal of Computational Chemistry
|
April 14, 2021
Free energy change estimation: The Divide and Conquer MBAR method
Xiangyu Jia, Hu Ge, Ye Mei
Journal of Chemical Theory and Computation
|
February 28, 2019
Host-Guest Relative Binding Affinities at Density-Functional Theory Level from Semiempirical Molecular Dynamics Simulations
Meiting Wang, Ye Mei, Ulf Ryde
The Journal of Chemical Physics
|
May 1, 2025
An iterative and automatic collective variable optimization scheme via unsupervised feature selection with CUR matrix decomposition
Yunsong Fu, Ye Mei, Chungen Liu
Journal of Chemical Information and Modeling
|
March 3, 2025
FEP-SPell-ABFE: An Open-Source Automated Alchemical Absolute Binding Free-Energy Calculation Workflow for Drug Discovery
Pengfei Li, Tingting Pu, Ye Mei
Chemical Science
|
June 14, 2024
Convergence criteria for single-step free-energy calculations: the relation between the Π bias measure and the sample variance
Meiting Wang, Ye Mei, Ulf Ryde
Journal of Molecular Modeling
|
June 15, 2011
Replica exchange molecular dynamics simulation of structure variation from α/4β-fold to 3α-fold protein
Raudah Lazim, Ye Mei, Dawei Zhang
Page
of 12
Search research articles
Search
Showing results (1-10 of 116) with videos related to
Sort By:
Page
of 12
Journal of Molecular Modeling
|
July 9, 2013
Equilibrium and folding simulations of NS4B H2 in pure water and water/2,2,2-trifluoroethanol mixed solvent: examination of solvation models
Man Guo, Ye Mei
Accounts of Chemical Research
|
June 3, 2014
Some practical approaches to treating electrostatic polarization of proteins
Changge Ji, Ye Mei
Journal of Chemical Theory and Computation
|
October 27, 2018
Predicting Relative Binding Affinity Using Nonequilibrium QM/MM Simulations
Meiting Wang, Ye Mei, Ulf Ryde
Journal of Molecular Modeling
|
June 15, 2019
Discovery of SBF1 as an allosteric inhibitor targeting the PIF-pocket of 3-phosphoinositide-dependent protein kinase-1
Wei Liu, Pengfei Li, Ye Mei
Journal of Computational Chemistry
|
April 14, 2021
Free energy change estimation: The Divide and Conquer MBAR method
Xiangyu Jia, Hu Ge, Ye Mei
Journal of Chemical Theory and Computation
|
February 28, 2019
Host-Guest Relative Binding Affinities at Density-Functional Theory Level from Semiempirical Molecular Dynamics Simulations
Meiting Wang, Ye Mei, Ulf Ryde
The Journal of Chemical Physics
|
May 1, 2025
An iterative and automatic collective variable optimization scheme via unsupervised feature selection with CUR matrix decomposition
Yunsong Fu, Ye Mei, Chungen Liu
Journal of Chemical Information and Modeling
|
March 3, 2025
FEP-SPell-ABFE: An Open-Source Automated Alchemical Absolute Binding Free-Energy Calculation Workflow for Drug Discovery
Pengfei Li, Tingting Pu, Ye Mei
Chemical Science
|
June 14, 2024
Convergence criteria for single-step free-energy calculations: the relation between the Π bias measure and the sample variance
Meiting Wang, Ye Mei, Ulf Ryde
Journal of Molecular Modeling
|
June 15, 2011
Replica exchange molecular dynamics simulation of structure variation from α/4β-fold to 3α-fold protein
Raudah Lazim, Ye Mei, Dawei Zhang
Page
of 12