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/vufind/Search/Results?lookfor=%22Darkhovskiy%2C+Mikhail%22&type=Person&sort=year
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PubPharm (7)
1
Neural Network Corrections to Intermolecular Interaction Terms of a Molecular Force Field Capture Nuclear Quantum Effects in Calculations of Liquid Thermodynamic Properties
enthalten in:
Journal of chemical theory and computation
| 2024
von
Kurnikov, I.
|
Pereyaslavets, L.
|
Kamath, G.
| +14
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2
Combining Force Fields and Neural Networks for an Accurate Representation of Bonded Interactions
enthalten in:
The journal of physical chemistry. A
| 2024
von
Kamath, G.
|
Illarionov, A.
|
Sakipov, S.
| +16
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3
The determination of free energy of hydration of water ions from first principles.
enthalten in:
chemRxiv.org
| 2023
von
Butin, O.
|
Pereyaslavets, L.
|
Kamath, G.
| +15
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4
Combining Force Fields and Neural Networks for an Accurate Representation of Chemically Diverse Molecular Interactions
enthalten in:
Journal of the American Chemical Society
| 2023
von
Illarionov, A.
|
Sakipov, S.
|
Pereyaslavets, L.
| +18
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5
Molecular Recognition in Pharmacology
Erschienen: Milton,
Taylor & Francis Group,
2023
Drugs and the Pharmaceutical Sciences Series
von
Darkhovskiy, M.
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6
Protein-Ligand Binding Free-Energy Calculations with ARROW─A Purely First-Principles Parameterized Polarizable Force Field
enthalten in:
Journal of chemical theory and computation
| 2022
von
Nawrocki, G.
|
Leontyev, I.
|
Sakipov, S.
| +18
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7
Accurate determination of solvation free energies of neutral organic compounds from first principles
enthalten in:
Nature communications
| 2022
von
Pereyaslavets, L.
|
Kamath, G.
|
Butin, O.
| +22
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1
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