| On the universe of protein folds R Kolodny, L Pereyaslavets, AO Samson, M Levitt Annual review of biophysics 42, 559-582, 2013 | 97 | 2013 |
| On the importance of accounting for nuclear quantum effects in ab initio calibrated force fields in biological simulations L Pereyaslavets, I Kurnikov, G Kamath, O Butin, A Illarionov, I Leontyev, ... Proceedings of the National Academy of Sciences 115 (36), 8878-8882, 2018 | 41 | 2018 |
| Assessment of performance of the general purpose polarizable force field QMPFF3 in condensed phase AG Donchev, NG Galkin, AA Illarionov, OV Khoruzhii, MA Olevanov, ... Journal of computational chemistry 29 (8), 1242-1249, 2008 | 37 | 2008 |
| Quantum mechanical polarizable force field (QMPFF3): Refinement and validation of the dispersion interaction for aromatic carbon AG Donchev, NG Galkin, LB Pereyaslavets, VI Tarasov The Journal of chemical physics 125 (24), 2006 | 34 | 2006 |
| Accurate determination of solvation free energies of neutral organic compounds from first principles L Pereyaslavets, G Kamath, O Butin, A Illarionov, M Olevanov, I Kurnikov, ... Nature communications 13 (1), 414, 2022 | 19 | 2022 |
| Prediction of cyclohexane-water distribution coefficient for SAMPL5 drug-like compounds with the QMPFF3 and ARROW polarizable force fields G Kamath, I Kurnikov, B Fain, I Leontyev, A Illarionov, O Butin, ... Journal of computer-aided molecular design 30 (11), 977-988, 2016 | 19 | 2016 |
| Development and testing of PFFsol1. 1, a new polarizable atomic force field for calculation of molecular interactions in implicit water environment LB Pereyaslavets, AV Finkelstein The Journal of Physical Chemistry B 116 (15), 4646-4654, 2012 | 14 | 2012 |
| Atomic force field FFsol for calculating molecular interactions in water environment LB Pereyaslavets, AV Finkelstein Molecular biology 44, 303-316, 2010 | 12 | 2010 |
| Combining Force Fields and Neural Networks for an Accurate Representation of Chemically Diverse Molecular Interactions A Illarionov, S Sakipov, L Pereyaslavets, IV Kurnikov, G Kamath, O Butin, ... Journal of the American Chemical Society 145 (43), 23620-23629, 2023 | 8 | 2023 |
| FoldNucleus: web server for the prediction of RNA and protein folding nuclei from their 3D structures LB Pereyaslavets, IV Sokolovsky, OV Galzitskaya Bioinformatics 31 (20), 3374-3376, 2015 | 8 | 2015 |
| Polarizable force fields for proteins O Khoruzhii, O Butin, A Illarionov, I Leontyev, M Olevanov, V Ozrin, ... Protein Modelling, 91-134, 2014 | 8 | 2014 |
| Protein–Ligand Binding Free-Energy Calculations with ARROW─ A Purely First-Principles Parameterized Polarizable Force Field G Nawrocki, I Leontyev, S Sakipov, M Darkhovskiy, I Kurnikov, ... Journal of Chemical Theory and Computation 18 (12), 7751-7763, 2022 | 6 | 2022 |
| Folding of Right‐and Left‐Handed Three‐Helix Proteins OV Galzitskaya, LB Pereyaslavets, AV Glyakina Israel Journal of Chemistry 54 (8‐9), 1126-1136, 2014 | 5 | 2014 |
| Right‐and left‐handed three‐helix proteins. I. Experimental and simulation analysis of differences in folding and structure AV Glyakina, LB Pereyaslavets, OV Galzitskaya Proteins: Structure, Function, and Bioinformatics 81 (9), 1527-1541, 2013 | 5 | 2013 |
| Prediction of folding nuclei in tRNA molecules LB Pereyaslavets, MV Baranov, EI Leonova, OV Galzitskaya Biochemistry (Moscow) 76, 236-244, 2011 | 4 | 2011 |
| Is there an advantageous arrangement of aromatic residues in proteins? Statistical analysis of aromatic interactions in globular proteins MY Lobanov, LB Pereyaslavets, IV Likhachev, BT Matkarimov, ... Computational and Structural Biotechnology Journal 19, 5960-5968, 2021 | 3 | 2021 |
| What handedness and angles between helices has the studied three-helical protein domain? LB Pereyaslavets, AV Glyakina, NV Dovidchenko, IV Sokolovskiy, ... Bioinformatics 31 (6), 963-965, 2015 | 3 | 2015 |
| Artificial intelligence-based modeling of molecular systems guided by quantum mechanical data B Fain, L Pereyaslavets, G Kamath, I Kurnikov, S Sakipov US Patent App. 18/136,621, 2024 | 2 | 2024 |
| System and method for determining material properties of molecular systems from an ab-initio parameterized force-field L Pereyaslavets, B Fain, G Kamath US Patent App. 17/967,451, 2023 | 1 | 2023 |
| Theoretical Search for RNA Folding Nuclei LB Pereyaslavets, OV Galzitskaya Entropy 17 (11), 7827-7847, 2015 | 1 | 2015 |
