Christophe Chipot

According to our database1, Christophe Chipot authored at least 19 papers between 1996 and 2021.

Collaborative distances:
  • Dijkstra number2 of four.
  • Erdős number3 of four.

Timeline

Legend:

Book 
In proceedings 
Article 
PhD thesis 
Other 

Links

On csauthors.net:

Bibliography

2021
BFEE2: Automated, Streamlined, and Accurate Absolute Binding Free-Energy Calculations.
J. Chem. Inf. Model., 2021

2020
Finding an Optimal Pathway on a Multidimensional Free-Energy Landscape.
J. Chem. Inf. Model., 2020

Boosting Free-Energy Perturbation Calculations with GPU-Accelerated NAMD.
J. Chem. Inf. Model., 2020

Modulation of membrane permeability by carbon dioxide.
J. Comput. Chem., 2020

2019
Changes in Microenvironment Modulate the B- to A-DNA Transition.
J. Chem. Inf. Model., 2019

Computing Relative Binding Affinity of Ligands to Receptor: An Effective Hybrid Single-Dual-Topology Free-Energy Perturbation Approach in NAMD.
J. Chem. Inf. Model., 2019

2018
BFEE: A User-Friendly Graphical Interface Facilitating Absolute Binding Free-Energy Calculations.
J. Chem. Inf. Model., 2018

ELF: An Extended-Lagrangian Free Energy Calculation Module for Multiple Molecular Dynamics Engines.
J. Chem. Inf. Model., 2018

2016
AlaScan: A Graphical User Interface for Alanine Scanning Free-Energy Calculations.
J. Chem. Inf. Model., 2016

Simulation-Based Approaches for Determining Membrane Permeability of Small Compounds.
J. Chem. Inf. Model., 2016

2012
The p7 Protein of Hepatitis C Virus Forms Structurally Plastic, Minimalist Ion Channels.
PLoS Comput. Biol., 2012

Molecular Basis of Drug Resistance in A/H1N1 Virus.
J. Chem. Inf. Model., 2012

2011
Enhanced Sampling of Multidimensional Free-Energy Landscapes Using Adaptive Biasing Forces.
SIAM J. Appl. Math., 2011

2005
Scalable molecular dynamics with NAMD.
J. Comput. Chem., 2005

Can free energy calculations be fast and accurate at the same time? Binding of low-affinity, non-peptide inhibitors to the SH2 domain of the src protein.
J. Comput. Aided Mol. Des., 2005

2003
Rational determination of charge distributions for free energy calculations.
J. Comput. Chem., 2003

OPEP: A tool for the optimal partitioning of electric properties.
J. Comput. Chem., 2003

2000
Structural analysis of the KGD sequence loop of barbourin, an alpha-IIb-beta-3-specific disintegrin.
J. Comput. Aided Mol. Des., 2000

1996
Alternative approaches to potential of mean force calculations: Free energy perturbation versus thermodynamic integration. Case study of some representative nonpolar interactions.
J. Comput. Chem., 1996


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