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Scientific Reports
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April 11, 2018
Ion Permeation Mechanism in Epithelial Calcium Channel TRVP6
Serzhan Sakipov, Alexander I Sobolevsky, Maria G Kurnikova
Redox Biology
|
January 16, 2017
Molecular mechanisms of bio-catalysis of heme extraction from hemoglobin
Serzhan Sakipov, Olga Rafikova, Maria G Kurnikova, et al.
Journal of Chemical Theory and Computation
|
June 6, 2024
The Determination of Free Energy of Hydration of Water Ions from First Principles
Oleg 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 Interactions
Ganesh 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 Interactions
Alexey 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 Field
Grzegorz Nawrocki, Igor Leontyev, Serzhan Sakipov, et al.
Nature Communications
|
January 21, 2022
Accurate determination of solvation free energies of neutral organic compounds from first principles
Leonid Pereyaslavets, Ganesh Kamath, Oleg Butin, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 7) with videos related to
Sort By:
Page
of 1
Scientific Reports
|
April 11, 2018
Ion Permeation Mechanism in Epithelial Calcium Channel TRVP6
Serzhan Sakipov, Alexander I Sobolevsky, Maria G Kurnikova
Redox Biology
|
January 16, 2017
Molecular mechanisms of bio-catalysis of heme extraction from hemoglobin
Serzhan Sakipov, Olga Rafikova, Maria G Kurnikova, et al.
Journal of Chemical Theory and Computation
|
June 6, 2024
The Determination of Free Energy of Hydration of Water Ions from First Principles
Oleg 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 Interactions
Ganesh 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 Interactions
Alexey 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 Field
Grzegorz Nawrocki, Igor Leontyev, Serzhan Sakipov, et al.
Nature Communications
|
January 21, 2022
Accurate determination of solvation free energies of neutral organic compounds from first principles
Leonid Pereyaslavets, Ganesh Kamath, Oleg Butin, et al.
Page
of 1