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Combining Force Fields and Neural Networks for an Accurate Representation of Bonded Interactions.
Kamath G, Illarionov A, Sakipov S, Pereyaslavets L, Kurnikov IV, Butin O, Voronina E, Ivahnenko I, Leontyev I, Nawrocki G, Darkhovskiy M, Olevanov M, Cherniavskyi YK, Lock C, Greenslade S, Chen Y, Kornberg RD, Levitt M, Fain B. Kamath G, et al. Among authors: cherniavskyi yk. J Phys Chem A. 2024 Feb 1;128(4):807-812. doi: 10.1021/acs.jpca.3c07598. Epub 2024 Jan 17. J Phys Chem A. 2024. PMID: 38232765 Free PMC article.
Combining Force Fields and Neural Networks for an Accurate Representation of Chemically Diverse Molecular Interactions.
Illarionov A, Sakipov S, Pereyaslavets L, Kurnikov IV, Kamath G, Butin O, Voronina E, Ivahnenko I, Leontyev I, Nawrocki G, Darkhovskiy M, Olevanov M, Cherniavskyi YK, Lock C, Greenslade S, Sankaranarayanan SK, Kurnikova MG, Potoff J, Kornberg RD, Levitt M, Fain B. Illarionov A, et al. Among authors: cherniavskyi yk. J Am Chem Soc. 2023 Nov 1;145(43):23620-23629. doi: 10.1021/jacs.3c07628. Epub 2023 Oct 19. J Am Chem Soc. 2023. PMID: 37856313 Free PMC article.