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Journal of Chemical Information and Modeling
|
December 27, 2019
Atomic Decomposition Scheme of Noncovalent Interactions Applied to Host-Guest Assemblies
Miguel Ponce-Vargas, Corentin Lefebvre, Jean-Charles Boisson, et al.
Journal of Chemical Information and Modeling
|
January 14, 2021
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, et al.
Physical Chemistry Chemical Physics : PCCP
|
November 16, 2017
Development of the first model of a phosphorylated, ATP/Mg<sup>2+</sup>-containing B-Raf monomer by molecular dynamics simulations: a tool for structure-based design
Viola Previtali, Cristina Trujillo, Jean-Charles Boisson, et al.
Journal of Computational Chemistry
|
March 26, 2017
GPU accelerated implementation of NCI calculations using promolecular density
Gaëtan Rubez, Jean-Matthieu Etancelin, Xavier Vigouroux, et al.
Physical Chemistry Chemical Physics : PCCP
|
July 1, 2017
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, et al.
The Journal of Physical Chemistry. A
|
February 11, 2020
New Way for Probing Bond Strength
Johanna Klein, Hassan Khartabil, Jean-Charles Boisson, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
December 19, 2017
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, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 7) with videos related to
Sort By:
Page
of 1
Journal of Chemical Information and Modeling
|
December 27, 2019
Atomic Decomposition Scheme of Noncovalent Interactions Applied to Host-Guest Assemblies
Miguel Ponce-Vargas, Corentin Lefebvre, Jean-Charles Boisson, et al.
Journal of Chemical Information and Modeling
|
January 14, 2021
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, et al.
Physical Chemistry Chemical Physics : PCCP
|
November 16, 2017
Development of the first model of a phosphorylated, ATP/Mg<sup>2+</sup>-containing B-Raf monomer by molecular dynamics simulations: a tool for structure-based design
Viola Previtali, Cristina Trujillo, Jean-Charles Boisson, et al.
Journal of Computational Chemistry
|
March 26, 2017
GPU accelerated implementation of NCI calculations using promolecular density
Gaëtan Rubez, Jean-Matthieu Etancelin, Xavier Vigouroux, et al.
Physical Chemistry Chemical Physics : PCCP
|
July 1, 2017
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, et al.
The Journal of Physical Chemistry. A
|
February 11, 2020
New Way for Probing Bond Strength
Johanna Klein, Hassan Khartabil, Jean-Charles Boisson, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
December 19, 2017
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, et al.
Page
of 1