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Journal of Chemical Theory and Computation
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September 20, 2008
Polarizable empirical force field for the primary and secondary alcohol series based on the classical Drude model
Victor M Anisimov, Igor V Vorobyov, Benoît Roux, et al.
Journal of Chemical Information and Modeling
|
May 16, 2012
Intrinsic energy landscapes of amino acid side-chains
Xiao Zhu, Pedro E M Lopes, Jihyun Shim, et al.
Journal of Chemical Information and Modeling
|
November 20, 2013
Inclusion of multiple fragment types in the site identification by ligand competitive saturation (SILCS) approach
E Prabhu Raman, Wenbo Yu, Sirish K Lakkaraju, et al.
Journal of Chemical Theory and Computation
|
June 17, 2014
Sampling of Organic Solutes in Aqueous and Heterogeneous Environments Using Oscillating Excess Chemical Potentials in Grand Canonical-like Monte Carlo-Molecular Dynamics Simulations
Sirish Kaushik Lakkaraju, E Prabhu Raman, Wenbo Yu, et al.
Biochimica Et Biophysica Acta. General Subjects
|
December 8, 2023
Biomolecular dynamics in the 21st century
Charles L Brooks, Alexander D MacKerell, Carol B Post, et al.
The Journal of Chemical Physics
|
January 25, 2013
Six-site polarizable model of water based on the classical Drude oscillator
Wenbo Yu, Pedro E M Lopes, Benoît Roux, et al.
Journal of Chemical Theory and Computation
|
April 26, 2025
High-Throughput Ligand Dissociation Kinetics Predictions Using Site Identification by Ligand Competitive Saturation
Wenbo Yu, Shashi Kumar, Mingtian Zhao, et al.
Journal of Computational Chemistry
|
August 5, 2011
Glycan Reader: automated sugar identification and simulation preparation for carbohydrates and glycoproteins
Sunhwan Jo, Kevin C Song, Heather Desaire, et al.
Journal of Chemical Information and Modeling
|
December 13, 2018
Prediction of Membrane Permeation of Drug Molecules by Combining an Implicit Membrane Model with Machine Learning
Stephanie A Brocke, Alexandra Degen, Alexander D MacKerell, et al.
Plos One
|
January 15, 2021
Discovery of beta-lactamase CMY-10 inhibitors for combination therapy against multi-drug resistant Enterobacteriaceae
Nousheen Parvaiz, Faisal Ahmad, Wenbo Yu, et al.
Page
of 41
Search research articles
Search
Showing results (201-210 of 403) with videos related to
Sort By:
Page
of 41
Journal of Chemical Theory and Computation
|
September 20, 2008
Polarizable empirical force field for the primary and secondary alcohol series based on the classical Drude model
Victor M Anisimov, Igor V Vorobyov, Benoît Roux, et al.
Journal of Chemical Information and Modeling
|
May 16, 2012
Intrinsic energy landscapes of amino acid side-chains
Xiao Zhu, Pedro E M Lopes, Jihyun Shim, et al.
Journal of Chemical Information and Modeling
|
November 20, 2013
Inclusion of multiple fragment types in the site identification by ligand competitive saturation (SILCS) approach
E Prabhu Raman, Wenbo Yu, Sirish K Lakkaraju, et al.
Journal of Chemical Theory and Computation
|
June 17, 2014
Sampling of Organic Solutes in Aqueous and Heterogeneous Environments Using Oscillating Excess Chemical Potentials in Grand Canonical-like Monte Carlo-Molecular Dynamics Simulations
Sirish Kaushik Lakkaraju, E Prabhu Raman, Wenbo Yu, et al.
Biochimica Et Biophysica Acta. General Subjects
|
December 8, 2023
Biomolecular dynamics in the 21st century
Charles L Brooks, Alexander D MacKerell, Carol B Post, et al.
The Journal of Chemical Physics
|
January 25, 2013
Six-site polarizable model of water based on the classical Drude oscillator
Wenbo Yu, Pedro E M Lopes, Benoît Roux, et al.
Journal of Chemical Theory and Computation
|
April 26, 2025
High-Throughput Ligand Dissociation Kinetics Predictions Using Site Identification by Ligand Competitive Saturation
Wenbo Yu, Shashi Kumar, Mingtian Zhao, et al.
Journal of Computational Chemistry
|
August 5, 2011
Glycan Reader: automated sugar identification and simulation preparation for carbohydrates and glycoproteins
Sunhwan Jo, Kevin C Song, Heather Desaire, et al.
Journal of Chemical Information and Modeling
|
December 13, 2018
Prediction of Membrane Permeation of Drug Molecules by Combining an Implicit Membrane Model with Machine Learning
Stephanie A Brocke, Alexandra Degen, Alexander D MacKerell, et al.
Plos One
|
January 15, 2021
Discovery of beta-lactamase CMY-10 inhibitors for combination therapy against multi-drug resistant Enterobacteriaceae
Nousheen Parvaiz, Faisal Ahmad, Wenbo Yu, et al.
Page
of 41