Combining Force Fields and Neural Networks for an Accurate Representation of Chemically Diverse Molecular Interactions
Illarionov, Alexey, Sakipov, Serzhan, Pereyaslavets, Leonid, Kurnikov, Igor V., Kamath, Ganesh, Butin, Oleg, Voronina, Ekaterina, Ivahnenko, Ilya, Leontyev, Igor, Nawrocki, Grzegorz, Darkhovskiy, Mikhail, Olevanov, Michael, Cherniavskyi, Yevhen K., Lock, Christopher, Greenslade, Sean, Sankaranarayanan, Subramanian KRS, Kurnikova, Maria G., Potoff, Jeffrey, Kornberg, Roger D., Levitt, Michael, Fain, Boris
Published in Journal of the American Chemical Society (01.11.2023)
Published in Journal of the American Chemical Society (01.11.2023)
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Journal Article
Combining Force Fields and Neural Networks for an Accurate Representation of Bonded Interactions
Kamath, Ganesh, Illarionov, Alexey, Sakipov, Serzhan, Pereyaslavets, Leonid, Kurnikov, Igor V., Butin, Oleg, Voronina, Ekaterina, Ivahnenko, Ilya, Leontyev, Igor, Nawrocki, Grzegorz, Darkhovskiy, Mikhail, Olevanov, Michael, Cherniavskyi, Yevhen K., Lock, Christopher, Greenslade, Sean, Chen, YuChun, Kornberg, Roger D., Levitt, Michael, Fain, Boris
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (01.02.2024)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (01.02.2024)
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Journal Article
The Determination of Free Energy of Hydration of Water Ions from First Principles
Butin, Oleg, Pereyaslavets, Leonid, Kamath, Ganesh, Illarionov, Alexey, Sakipov, Serzhan, Kurnikov, Igor V., Voronina, Ekaterina, Ivahnenko, Ilya, Leontyev, Igor, Nawrocki, Grzegorz, Darkhovskiy, Mikhail, Olevanov, Michael, Cherniavskyi, Yevhen K., Lock, Christopher, Greenslade, Sean, Kornberg, Roger D., Levitt, Michael, Fain, Boris
Published in Journal of chemical theory and computation (25.06.2024)
Published in Journal of chemical theory and computation (25.06.2024)
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Journal Article