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Journal of Chemical Information and Modeling
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January 6, 2026
From Static Pathways to Dynamic Mechanisms: A Committor-Based Data-Driven Approach to Chemical Reactions
Radu A Talmazan, Christophe Chipot
Journal of Chemical Information and Modeling
|
May 24, 2016
AlaScan: A Graphical User Interface for Alanine Scanning Free-Energy Calculations
Vijayaraj Ramadoss, François Dehez, Christophe Chipot
Biophysical Journal
|
September 26, 2003
Molecular dynamics investigation of an oriented cyclic peptide nanotube in DMPC bilayers
Mounir Tarek, Bernard Maigret, Christophe Chipot
Proceedings of the National Academy of Sciences of the United States of America
|
February 15, 2011
Free-energy cost for translocon-assisted insertion of membrane proteins
James Gumbart, Christophe Chipot, Klaus Schulten
Journal of the American Chemical Society
|
November 7, 2009
A glycophorin A-like framework for the dimerization of photosynthetic core complexes
Jen Hsin, Christophe Chipot, Klaus Schulten
The Journal of Physical Chemistry. B
|
August 18, 2006
Conformational equilibrium in alanine-rich peptides probed by reversible stretching simulations
Jérôme Hénin, Klaus Schulten, Christophe Chipot
Journal of the American Chemical Society
|
June 9, 2005
Insights into the recognition and association of transmembrane alpha-helices. The free energy of alpha-helix dimerization in glycophorin A
Jérôme Hénin, Andrew Pohorille, Christophe Chipot
The Journal of Physical Chemistry. B
|
October 3, 2025
Probing Passive Permeation of Tetracycline: Are Simulations Ready for beyond-Rule-of-Five Drug Permeability Calculation?
Yajing Qi, Christophe Chipot, Yi Wang
The Journal of Physical Chemistry. B
|
August 13, 2010
Good practices in free-energy calculations
Andrew Pohorille, Christopher Jarzynski, Christophe Chipot
The Journal of Physical Chemistry Letters
|
September 29, 2022
Committor-Consistent Variational String Method
Ziwei He, Christophe Chipot, Benoît Roux
Page
of 20
Search research articles
Search
Showing results (21-30 of 191) with videos related to
Sort By:
Page
of 20
Journal of Chemical Information and Modeling
|
January 6, 2026
From Static Pathways to Dynamic Mechanisms: A Committor-Based Data-Driven Approach to Chemical Reactions
Radu A Talmazan, Christophe Chipot
Journal of Chemical Information and Modeling
|
May 24, 2016
AlaScan: A Graphical User Interface for Alanine Scanning Free-Energy Calculations
Vijayaraj Ramadoss, François Dehez, Christophe Chipot
Biophysical Journal
|
September 26, 2003
Molecular dynamics investigation of an oriented cyclic peptide nanotube in DMPC bilayers
Mounir Tarek, Bernard Maigret, Christophe Chipot
Proceedings of the National Academy of Sciences of the United States of America
|
February 15, 2011
Free-energy cost for translocon-assisted insertion of membrane proteins
James Gumbart, Christophe Chipot, Klaus Schulten
Journal of the American Chemical Society
|
November 7, 2009
A glycophorin A-like framework for the dimerization of photosynthetic core complexes
Jen Hsin, Christophe Chipot, Klaus Schulten
The Journal of Physical Chemistry. B
|
August 18, 2006
Conformational equilibrium in alanine-rich peptides probed by reversible stretching simulations
Jérôme Hénin, Klaus Schulten, Christophe Chipot
Journal of the American Chemical Society
|
June 9, 2005
Insights into the recognition and association of transmembrane alpha-helices. The free energy of alpha-helix dimerization in glycophorin A
Jérôme Hénin, Andrew Pohorille, Christophe Chipot
The Journal of Physical Chemistry. B
|
October 3, 2025
Probing Passive Permeation of Tetracycline: Are Simulations Ready for beyond-Rule-of-Five Drug Permeability Calculation?
Yajing Qi, Christophe Chipot, Yi Wang
The Journal of Physical Chemistry. B
|
August 13, 2010
Good practices in free-energy calculations
Andrew Pohorille, Christopher Jarzynski, Christophe Chipot
The Journal of Physical Chemistry Letters
|
September 29, 2022
Committor-Consistent Variational String Method
Ziwei He, Christophe Chipot, Benoît Roux
Page
of 20