Grzegorz Nawrocki
4PUBLICATIONS
9CO-AUTHORS
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Publications (4)
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|Jan 19, 2024
Neural Network Corrections to Intermolecular Interaction Terms of a Molecular Force Field Capture Nuclear Quantum Effects in Calculations of Liquid Thermodynamic Properties.Igor V Kurnikov, Leonid Pereyaslavets, Ganesh Kamath
|Jan 17, 2024
Combining Force Fields and Neural Networks for an Accurate Representation of Bonded Interactions.Ganesh Kamath, Alexey Illarionov, Serzhan Sakipov
|Oct 19, 2023
Combining Force Fields and Neural Networks for an Accurate Representation of Chemically Diverse Molecular Interactions.Alexey Illarionov, Serzhan Sakipov, Leonid Pereyaslavets
|Dec 02, 2022
Protein-Ligand Binding Free-Energy Calculations with ARROW─A Purely First-Principles Parameterized Polarizable Force Field.Grzegorz Nawrocki, Igor Leontyev, Serzhan Sakipov
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Frequent Collaborators
4 joint publications
Christopher Lock
3 joint publications
Serzhan Sakipov
3 joint publications
Boris Fain
2 joint publications
Maria G Kurnikova
2 joint publications
Leonid Pereyaslavets
1 joint publications
Subramanian Krs Sankaranarayanan
1 joint publications
Jeffrey Potoff
1 joint publications
Ganesh Kamath
1 joint publications
Igor V Kurnikov
