Publications by authors named "Jean-Charles Boisson"

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A Step toward the Quantification of Noncovalent Interactions in Large Biological Systems: The Independent Gradient Model-Extremely Localized Molecular Orbital Approach.
Erna K Wieduwilt, Jean-Charles Boisson, Giancarlo Terraneo, Eric Hénon, Alessandro Genoni

J Chem Inf Model· February 2021

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New Way for Probing Bond Strength.
Johanna Klein, Hassan Khartabil, Jean-Charles Boisson, Julia Contreras-García, Jean-Philip Piquemal

J Phys Chem A· March 2020

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Atomic Decomposition Scheme of Noncovalent Interactions Applied to Host-Guest Assemblies.
Miguel Ponce-Vargas, Corentin Lefebvre, Jean-Charles Boisson, Eric Hénon

J Chem Inf Model· January 2020

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The Independent Gradient Model: A New Approach for Probing Strong and Weak Interactions in Molecules from Wave Function Calculations.
Corentin Lefebvre, Hassan Khartabil, Jean-Charles Boisson, Julia Contreras-García, Jean-Philip Piquemal

Chemphyschem· March 2018

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Development of the first model of a phosphorylated, ATP/Mg-containing B-Raf monomer by molecular dynamics simulations: a tool for structure-based design.
Viola Previtali, Cristina Trujillo, Jean-Charles Boisson, Hassan Khartabil, Eric Hénon

Phys Chem Chem Phys· November 2017

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Accurately extracting the signature of intermolecular interactions present in the NCI plot of the reduced density gradient versus electron density.
Corentin Lefebvre, Gaëtan Rubez, Hassan Khartabil, Jean-Charles Boisson, Julia Contreras-García

Phys Chem Chem Phys· July 2017

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GPU accelerated implementation of NCI calculations using promolecular density.
Gaëtan Rubez, Jean-Matthieu Etancelin, Xavier Vigouroux, Michael Krajecki, Jean-Charles Boisson

J Comput Chem· May 2017

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