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Igor Leontyev

Showing results (11-20 of 17) with videos related to

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Proceedings of the National Academy of Sciences of the United States of America|August 22, 2018
On the importance of accounting for nuclear quantum effects in ab initio calibrated force fields in biological simulationsLeonid Pereyaslavets, Igor Kurnikov, Ganesh Kamath, et al.
Journal of Chemical Theory and Computation|January 19, 2024
Neural Network Corrections to Intermolecular Interaction Terms of a Molecular Force Field Capture Nuclear Quantum Effects in Calculations of Liquid Thermodynamic PropertiesIgor V Kurnikov, Leonid Pereyaslavets, Ganesh Kamath, et al.
Journal of Chemical Theory and Computation|June 6, 2024
The Determination of Free Energy of Hydration of Water Ions from First PrinciplesOleg Butin, Leonid Pereyaslavets, Ganesh Kamath, et al.
The Journal of Physical Chemistry. A|January 17, 2024
Combining Force Fields and Neural Networks for an Accurate Representation of Bonded InteractionsGanesh Kamath, Alexey Illarionov, Serzhan Sakipov, et al.
Journal of the American Chemical Society|October 19, 2023
Combining Force Fields and Neural Networks for an Accurate Representation of Chemically Diverse Molecular InteractionsAlexey Illarionov, Serzhan Sakipov, Leonid Pereyaslavets, et al.
Journal of Chemical Theory and Computation|December 2, 2022
Protein-Ligand Binding Free-Energy Calculations with ARROW─A Purely First-Principles Parameterized Polarizable Force FieldGrzegorz Nawrocki, Igor Leontyev, Serzhan Sakipov, et al.
Nature Communications|January 21, 2022
Accurate determination of solvation free energies of neutral organic compounds from first principlesLeonid Pereyaslavets, Ganesh Kamath, Oleg Butin, et al.
Pageof 2

Showing results (11-20 of 17) with videos related to

Sort By:
Pageof 2
You have reached the last page of results.This site can display upto 17 results.
Proceedings of the National Academy of Sciences of the United States of America|August 22, 2018
On the importance of accounting for nuclear quantum effects in ab initio calibrated force fields in biological simulationsLeonid Pereyaslavets, Igor Kurnikov, Ganesh Kamath, et al.
Journal of Chemical Theory and Computation|January 19, 2024
Neural Network Corrections to Intermolecular Interaction Terms of a Molecular Force Field Capture Nuclear Quantum Effects in Calculations of Liquid Thermodynamic PropertiesIgor V Kurnikov, Leonid Pereyaslavets, Ganesh Kamath, et al.
Journal of Chemical Theory and Computation|June 6, 2024
The Determination of Free Energy of Hydration of Water Ions from First PrinciplesOleg Butin, Leonid Pereyaslavets, Ganesh Kamath, et al.
The Journal of Physical Chemistry. A|January 17, 2024
Combining Force Fields and Neural Networks for an Accurate Representation of Bonded InteractionsGanesh Kamath, Alexey Illarionov, Serzhan Sakipov, et al.
Journal of the American Chemical Society|October 19, 2023
Combining Force Fields and Neural Networks for an Accurate Representation of Chemically Diverse Molecular InteractionsAlexey Illarionov, Serzhan Sakipov, Leonid Pereyaslavets, et al.
Journal of Chemical Theory and Computation|December 2, 2022
Protein-Ligand Binding Free-Energy Calculations with ARROW─A Purely First-Principles Parameterized Polarizable Force FieldGrzegorz Nawrocki, Igor Leontyev, Serzhan Sakipov, et al.
Nature Communications|January 21, 2022
Accurate determination of solvation free energies of neutral organic compounds from first principlesLeonid Pereyaslavets, Ganesh Kamath, Oleg Butin, et al.
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