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Journal of Chemical Theory and Computation
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November 18, 2015
Efficient Determination of Relative Entropy Using Combined Temperature and Hamiltonian Replica-Exchange Molecular Dynamics
Sunhwan Jo, Christophe Chipot, Benoît Roux
Journal of Chemical Information and Modeling
|
August 15, 2019
Computing Relative Binding Affinity of Ligands to Receptor: An Effective Hybrid Single-Dual-Topology Free-Energy Perturbation Approach in NAMD
Wei Jiang, Christophe Chipot, Benoît Roux
Journal of Chemical Theory and Computation
|
May 6, 2017
Permeability of a Fluid Lipid Bilayer to Short-Chain Alcohols from First Principles
Jeffrey Comer, Klaus Schulten, Christophe Chipot
The Journal of Physical Chemistry. B
|
August 21, 2007
Energetics of ion transport in a peptide nanotube
François Dehez, Mounir Tarek, Christophe Chipot
Journal of the American Chemical Society
|
April 29, 2011
Free energy of nascent-chain folding in the translocon
James Gumbart, Christophe Chipot, Klaus Schulten
Journal of Chemical Theory and Computation
|
November 21, 2015
Diffusive Models of Membrane Permeation with Explicit Orientational Freedom
Jeffrey Comer, Klaus Schulten, Christophe Chipot
Journal of Chemical Theory and Computation
|
November 19, 2015
Calculation of Lipid-Bilayer Permeabilities Using an Average Force
Jeffrey Comer, Klaus Schulten, Christophe Chipot
Journal of Chemical Theory and Computation
|
May 24, 2023
Discovering Reaction Pathways, Slow Variables, and Committor Probabilities with Machine Learning
Haochuan Chen, Benoît Roux, Christophe Chipot
Journal of Chemical Information and Modeling
|
December 9, 2025
GPU-Accelerated Implementation of Constant-pH Molecular Dynamics in NAMD
Sarah Moe, Christophe Chipot, Benoît Roux
The Journal of Physical Chemistry. B
|
January 16, 2024
How is Membrane Permeation of Small Ionizable Molecules Affected by Protonation Kinetics?
Jonathan Harris, Christophe Chipot, Benoît Roux
Page
of 20
Search research articles
Search
Showing results (31-40 of 191) with videos related to
Sort By:
Page
of 20
Journal of Chemical Theory and Computation
|
November 18, 2015
Efficient Determination of Relative Entropy Using Combined Temperature and Hamiltonian Replica-Exchange Molecular Dynamics
Sunhwan Jo, Christophe Chipot, Benoît Roux
Journal of Chemical Information and Modeling
|
August 15, 2019
Computing Relative Binding Affinity of Ligands to Receptor: An Effective Hybrid Single-Dual-Topology Free-Energy Perturbation Approach in NAMD
Wei Jiang, Christophe Chipot, Benoît Roux
Journal of Chemical Theory and Computation
|
May 6, 2017
Permeability of a Fluid Lipid Bilayer to Short-Chain Alcohols from First Principles
Jeffrey Comer, Klaus Schulten, Christophe Chipot
The Journal of Physical Chemistry. B
|
August 21, 2007
Energetics of ion transport in a peptide nanotube
François Dehez, Mounir Tarek, Christophe Chipot
Journal of the American Chemical Society
|
April 29, 2011
Free energy of nascent-chain folding in the translocon
James Gumbart, Christophe Chipot, Klaus Schulten
Journal of Chemical Theory and Computation
|
November 21, 2015
Diffusive Models of Membrane Permeation with Explicit Orientational Freedom
Jeffrey Comer, Klaus Schulten, Christophe Chipot
Journal of Chemical Theory and Computation
|
November 19, 2015
Calculation of Lipid-Bilayer Permeabilities Using an Average Force
Jeffrey Comer, Klaus Schulten, Christophe Chipot
Journal of Chemical Theory and Computation
|
May 24, 2023
Discovering Reaction Pathways, Slow Variables, and Committor Probabilities with Machine Learning
Haochuan Chen, Benoît Roux, Christophe Chipot
Journal of Chemical Information and Modeling
|
December 9, 2025
GPU-Accelerated Implementation of Constant-pH Molecular Dynamics in NAMD
Sarah Moe, Christophe Chipot, Benoît Roux
The Journal of Physical Chemistry. B
|
January 16, 2024
How is Membrane Permeation of Small Ionizable Molecules Affected by Protonation Kinetics?
Jonathan Harris, Christophe Chipot, Benoît Roux
Page
of 20