Pereyaslavets LB
Количество цитирований статей в журналах по данным
Web of Science: 43,
Scopus: 62
IstinaResearcherID (IRID): 27230147
Деятельность
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Статьи в журналах
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2022
Accurate determination of solvation free energies of neutral organic compounds from first principles
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Pereyaslavets L.,
Kamath G.,
Butin O.,
Illarionov A.,
Olevanov M.A.,
Kurnikov I.,
Sakipov S.,
Leontyev I.,
Voronina E.N.,
Gannon T.,
Nawrocki G.,
Darkhovskiy M.,
Ivahnenko I.,
Kostikov A.,
Scaranto J.,
Kurnikova M.G.,
Banik S.,
Chan H.,
Sternberg M.G.,
Sankaranarayanan S.,
Crawford B.,
Potoff J.,
Levitt M.,
Kornberg R.D.,
Fain B.
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в журнале Nature communications, издательство Nature Pub. Group (United Kingdom), том 13, № 1, с. 414
DOI
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2018
On the importance of accounting for nuclear quantum effects in ab initio calibrated force fields in biological simulations
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Pereyaslavets L.,
Kurnikov I.,
Kamath G.,
Butin O.,
Illarionov A.,
Leontyev I.,
Olevanov M.,
Levitt M.,
Kornberg R.D.,
Fain B.
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в журнале Proceedings of the National Academy of Sciences of the United States of America, издательство National Academy of Sciences (United States), том 115, № 36, с. 8878-8882
DOI
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2016
Prediction of cyclohexane-water distribution coefficient for SAMPL5 drug-like compounds with the QMPFF3 and ARROW polarizable force fields
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Kamath G.,
Kurnikov I.,
Fain B.,
Leontyev I.,
Illarionov A.,
Butin O.,
Olevanov M.,
Pereyaslavets L.
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в журнале Journal of Computer-Aided Molecular Design, издательство Springer Nature (Switzerland), том 30, № 11, с. 977-988
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2008
Assessment of performance of the general purpose polarizable force field QMPFF3 in condensed phase
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Donchev A.G.,
Galkin N.G.,
Illarionov A.A.,
Khoruzhii O.V.,
Olevanov M.A.,
Ozrin V.D.,
Pereyaslavets L.B.,
Tarasov V.I.
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в журнале Journal of Computational Chemistry, издательство John Wiley & Sons Inc. (United States), том 29, с. 1242-1249
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Статьи в сборниках