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Search Results - Olevanov, Michael
Search Results - Olevanov, Michael
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Accurate determination of solvation free energies of neutral organic compounds from first principles
by
Pereyaslavets, Leonid
,
Kamath, Ganesh
,
Butin, Oleg
,
Illarionov, Alexey
,
Olevanov, Michael
,
Kurnikov, Igor
,
Sakipov, Serzhan
,
Leontyev, Igor
,
Voronina, Ekaterina
,
Gannon, Tyler
,
Nawrocki, Grzegorz
,
Darkhovskiy, Mikhail
,
Ivahnenko, Ilya
,
Kostikov, Alexander
,
Scaranto, Jessica
,
Kurnikova, Maria G
,
Banik, Suvo
,
Chan, Henry
,
Sternberg, Michael G
,
Sankaranarayanan, Subramanian K R S
,
Crawford, Brad
,
Potoff, Jeffrey
,
Levitt, Michael
,
Kornberg, Roger D
,
Fain, Boris
Published in
Nature communications
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On the importance of accounting for nuclear quantum effects in ab initio calibrated force fields in biological simulations
by
Pereyaslavets, Leonid
,
Kurnikov, Igor
,
Kamath, Ganesh
,
Butin, Oleg
,
Illarionov, Alexey
,
Leontyev, Igor
,
Olevanov, Michael
,
Levitt, Michael
,
Kornberg, Roger D.
,
Fain, Boris
Published in
Proceedings of the National Academy of Sciences - PNAS
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Assessment of performance of the general purpose polarizable force field QMPFF3 in condensed phase
by
Donchev, Alexander G
,
Galkin, Nikolay G
,
Illarionov, Alexey A
,
Khoruzhii, Oleg V
,
Olevanov, Michael A
,
Ozrin, Vladimir D
,
Pereyaslavets, Leonid B
,
Tarasov, Vladimir I
Published in
Journal of computational chemistry
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Experimental and Theoretical Study of Ion Energy Distribution Function in Single and Dual Frequency RF Discharges
by
Rakhimova, T.V.
,
Braginsky, O.V.
,
Ivanov, V.V.
,
Kovalev, A.S.
,
Lopaev, D.V.
,
Mankelevich, Y.A.
,
Olevanov, M.A.
,
Proshina, O.V.
,
Rakhimov, A.T.
,
Vasilieva, A.N.
,
Voloshin, D.G.
Published in
IEEE transactions on plasma science
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Combining Force Fields and Neural Networks for an Accurate Representation of Chemically Diverse Molecular Interactions
by
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
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Combining Force Fields and Neural Networks for an Accurate Representation of Bonded Interactions
by
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
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The Determination of Free Energy of Hydration of Water Ions from First Principles
by
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
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Protein–Ligand Binding Free-Energy Calculations with ARROWA Purely First-Principles Parameterized Polarizable Force Field
by
Nawrocki, Grzegorz
,
Leontyev, Igor
,
Sakipov, Serzhan
,
Darkhovskiy, Mikhail
,
Kurnikov, Igor
,
Pereyaslavets, Leonid
,
Kamath, Ganesh
,
Voronina, Ekaterina
,
Butin, Oleg
,
Illarionov, Alexey
,
Olevanov, Michael
,
Kostikov, Alexander
,
Ivahnenko, Ilya
,
Patel, Dhilon S.
,
Sankaranarayanan, Subramanian K. R. S.
,
Kurnikova, Maria G.
,
Lock, Christopher
,
Crooks, Gavin E.
,
Levitt, Michael
,
Kornberg, Roger D.
,
Fain, Boris
Published in
Journal of chemical theory and computation
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Prediction of cyclohexane-water distribution coefficient for SAMPL5 drug-like compounds with the QMPFF3 and ARROW polarizable force fields
by
Kamath, Ganesh
,
Kurnikov, Igor
,
Fain, Boris
,
Leontyev, Igor
,
Illarionov, Alexey
,
Butin, Oleg
,
Olevanov, Michael
,
Pereyaslavets, Leonid
Published in
Journal of computer-aided molecular design
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Experimental and theoretical study of ion energy distribution function in single and dual frequency RF discharges: Modeling and simulation of collisional low-temperature plasmas
by
RAKHIMOVA, Tatyana V
,
BRAGINSKY, Oleg V
,
VOLOSHIN, Dmitry G
,
IVANOV, Vladimir V
,
KOVALEV, Alexander S
,
LOPAEV, Dmitry V
,
MANKELEVICH, Yuri A
,
OLEVANOV, Michael A
,
PROSHINA, Olga V
,
RAKHIMOV, Alexander T
,
VASILIEVA, Anna N
Published in
IEEE transactions on plasma science
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