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The Journal of Physical Chemistry. B
|
February 24, 2006
Absolute hydration free energy scale for alkali and halide ions established from simulations with a polarizable force field
Guillaume Lamoureux, Benoît Roux
Journal of Chemical Theory and Computation
|
November 21, 2015
Simulation of Liquid and Supercritical Hydrogen Sulfide and of Alkali Ions in the Pure and Aqueous Liquid
Esam A Orabi, Guillaume Lamoureux
Journal of Chemical Theory and Computation
|
November 20, 2015
Molecular Dynamics Investigation of Alkali Metal Ions in Liquid and Aqueous Ammonia
Esam A Orabi, Guillaume Lamoureux
Journal of Chemical Theory and Computation
|
November 20, 2015
Polarizable Interaction Model for Liquid, Supercritical, and Aqueous Ammonia
Esam A Orabi, Guillaume Lamoureux
The Journal of Physical Chemistry. B
|
February 6, 2018
Cation-π Interactions between Quaternary Ammonium Ions and Amino Acid Aromatic Groups in Aqueous Solution
Esam A Orabi, Guillaume Lamoureux
Journal of Chemical Theory and Computation
|
November 24, 2015
Cation-π and π-π Interactions in Aqueous Solution Studied Using Polarizable Potential Models
Esam A Orabi, Guillaume Lamoureux
Journal of Chemical Theory and Computation
|
November 21, 2015
Development of Semiempirical Models for Proton Transfer Reactions in Water
Shihao Wang, Laurent MacKay, Guillaume Lamoureux
The Journal of Physical Chemistry. B
|
July 21, 2006
Molecular dynamics study of hydration in ethanol-water mixtures using a polarizable force field
Sergei Yu Noskov, Guillaume Lamoureux, Benoît Roux
Journal of Chemical Theory and Computation
|
December 3, 2015
Peptide Hydrolysis in Thermolysin: Ab Initio QM/MM Investigation of the Glu143-Assisted Water Addition Mechanism
Jochen Blumberger, Guillaume Lamoureux, Michael L Klein
IEEE/ACM Transactions on Computational Biology and Bioinformatics
|
May 30, 2024
Dock2D: Synthetic Data for the Molecular Recognition Problem
Siddharth Bhadra-Lobo, Georgy Derevyanko, Guillaume Lamoureux
Page
of 4
Search research articles
Search
Showing results (1-10 of 39) with videos related to
Sort By:
Page
of 4
The Journal of Physical Chemistry. B
|
February 24, 2006
Absolute hydration free energy scale for alkali and halide ions established from simulations with a polarizable force field
Guillaume Lamoureux, Benoît Roux
Journal of Chemical Theory and Computation
|
November 21, 2015
Simulation of Liquid and Supercritical Hydrogen Sulfide and of Alkali Ions in the Pure and Aqueous Liquid
Esam A Orabi, Guillaume Lamoureux
Journal of Chemical Theory and Computation
|
November 20, 2015
Molecular Dynamics Investigation of Alkali Metal Ions in Liquid and Aqueous Ammonia
Esam A Orabi, Guillaume Lamoureux
Journal of Chemical Theory and Computation
|
November 20, 2015
Polarizable Interaction Model for Liquid, Supercritical, and Aqueous Ammonia
Esam A Orabi, Guillaume Lamoureux
The Journal of Physical Chemistry. B
|
February 6, 2018
Cation-π Interactions between Quaternary Ammonium Ions and Amino Acid Aromatic Groups in Aqueous Solution
Esam A Orabi, Guillaume Lamoureux
Journal of Chemical Theory and Computation
|
November 24, 2015
Cation-π and π-π Interactions in Aqueous Solution Studied Using Polarizable Potential Models
Esam A Orabi, Guillaume Lamoureux
Journal of Chemical Theory and Computation
|
November 21, 2015
Development of Semiempirical Models for Proton Transfer Reactions in Water
Shihao Wang, Laurent MacKay, Guillaume Lamoureux
The Journal of Physical Chemistry. B
|
July 21, 2006
Molecular dynamics study of hydration in ethanol-water mixtures using a polarizable force field
Sergei Yu Noskov, Guillaume Lamoureux, Benoît Roux
Journal of Chemical Theory and Computation
|
December 3, 2015
Peptide Hydrolysis in Thermolysin: Ab Initio QM/MM Investigation of the Glu143-Assisted Water Addition Mechanism
Jochen Blumberger, Guillaume Lamoureux, Michael L Klein
IEEE/ACM Transactions on Computational Biology and Bioinformatics
|
May 30, 2024
Dock2D: Synthetic Data for the Molecular Recognition Problem
Siddharth Bhadra-Lobo, Georgy Derevyanko, Guillaume Lamoureux
Page
of 4