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The Journal of Chemical Physics
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January 8, 2018
Enhanced configurational sampling with hybrid non-equilibrium molecular dynamics-Monte Carlo propagator
Donghyuk Suh, Brian K Radak, Christophe Chipot, et al.
Plos Computational Biology
|
October 3, 2012
The p7 protein of hepatitis C virus forms structurally plastic, minimalist ion channels
Danielle E Chandler, François Penin, Klaus Schulten, et al.
Journal of Materials Chemistry. B
|
January 10, 2025
Probing the orientation and membrane permeation of rhodamine voltage reporters through molecular simulations and free energy calculations
Yajing Qi, Lap Yan Fung, Christophe Chipot, et al.
Journal of Chemical Information and Modeling
|
January 25, 2024
Classifying Protein-Protein Binding Affinity with Free-Energy Calculations and Machine Learning Approaches
Emma Goulard Coderc de Lacam, Benoît Roux, Christophe Chipot
Journal of Chemical Theory and Computation
|
May 18, 2018
Link between Membrane Composition and Permeability to Drugs
Chi Hang Tse, Jeffrey Comer, Yi Wang, et al.
Journal of Chemical Theory and Computation
|
November 20, 2015
Multiple-Replica Strategies for Free-Energy Calculations in NAMD: Multiple-Walker Adaptive Biasing Force and Walker Selection Rules
Jeffrey Comer, James C Phillips, Klaus Schulten, et al.
The Journal of Physical Chemistry Letters
|
March 25, 2021
Nanomachine-Assisted Ion Transport Across Membranes: From Mechanism to Rational Design and Applications
Hong Zhang, Yichang Guo, Christophe Chipot, et al.
Journal of Computational Chemistry
|
September 4, 2019
Modulation of membrane permeability by carbon dioxide
Hong Zhang, Xueguang Shao, François Dehez, et al.
Journal of Chemical Theory and Computation
|
June 14, 2021
Accuracy of Alternate Nonpolarizable Force Fields for the Determination of Protein-Ligand Binding Affinities Dominated by Cation-π Interactions
Han Liu, Haohao Fu, Christophe Chipot, et al.
Journal of Chemical Information and Modeling
|
June 7, 2018
ELF: An Extended-Lagrangian Free Energy Calculation Module for Multiple Molecular Dynamics Engines
Haochuan Chen, Haohao Fu, Xueguang Shao, et al.
Page
of 20
Search research articles
Search
Showing results (81-90 of 191) with videos related to
Sort By:
Page
of 20
The Journal of Chemical Physics
|
January 8, 2018
Enhanced configurational sampling with hybrid non-equilibrium molecular dynamics-Monte Carlo propagator
Donghyuk Suh, Brian K Radak, Christophe Chipot, et al.
Plos Computational Biology
|
October 3, 2012
The p7 protein of hepatitis C virus forms structurally plastic, minimalist ion channels
Danielle E Chandler, François Penin, Klaus Schulten, et al.
Journal of Materials Chemistry. B
|
January 10, 2025
Probing the orientation and membrane permeation of rhodamine voltage reporters through molecular simulations and free energy calculations
Yajing Qi, Lap Yan Fung, Christophe Chipot, et al.
Journal of Chemical Information and Modeling
|
January 25, 2024
Classifying Protein-Protein Binding Affinity with Free-Energy Calculations and Machine Learning Approaches
Emma Goulard Coderc de Lacam, Benoît Roux, Christophe Chipot
Journal of Chemical Theory and Computation
|
May 18, 2018
Link between Membrane Composition and Permeability to Drugs
Chi Hang Tse, Jeffrey Comer, Yi Wang, et al.
Journal of Chemical Theory and Computation
|
November 20, 2015
Multiple-Replica Strategies for Free-Energy Calculations in NAMD: Multiple-Walker Adaptive Biasing Force and Walker Selection Rules
Jeffrey Comer, James C Phillips, Klaus Schulten, et al.
The Journal of Physical Chemistry Letters
|
March 25, 2021
Nanomachine-Assisted Ion Transport Across Membranes: From Mechanism to Rational Design and Applications
Hong Zhang, Yichang Guo, Christophe Chipot, et al.
Journal of Computational Chemistry
|
September 4, 2019
Modulation of membrane permeability by carbon dioxide
Hong Zhang, Xueguang Shao, François Dehez, et al.
Journal of Chemical Theory and Computation
|
June 14, 2021
Accuracy of Alternate Nonpolarizable Force Fields for the Determination of Protein-Ligand Binding Affinities Dominated by Cation-π Interactions
Han Liu, Haohao Fu, Christophe Chipot, et al.
Journal of Chemical Information and Modeling
|
June 7, 2018
ELF: An Extended-Lagrangian Free Energy Calculation Module for Multiple Molecular Dynamics Engines
Haochuan Chen, Haohao Fu, Xueguang Shao, et al.
Page
of 20