| Automatic classification of protein structure by using Gauss integrals P Røgen, B Fain Proceedings of the National Academy of Sciences 100 (1), 119-124, 2003 | 267 | 2003 |
| Conformations of linear DNA B Fain, J Rudnick, S Östlund Physical Review E 55 (6), 7364, 1997 | 161 | 1997 |
| Conversion of 124 into 123+ CuO and 124, 123 and 247 phase regions in the Y-Ba-Cu-O system DE Morris, AG Markelz, B Fayn, JH Nickel Physica C: Superconductivity 168 (1-2), 153-160, 1990 | 106 | 1990 |
| Improved protein structure selection using decoy-dependent discriminatory functions K Wang, B Fain, M Levitt, R Samudrala BMC structural biology 4, 1-18, 2004 | 78 | 2004 |
| Conformations of closed DNA B Fain, J Rudnick Physical Review E 60 (6), 7239, 1999 | 55 | 1999 |
| Calcium-substituted Y-Ba-Cu-O superconductors with enhanced T_ {c} synthesized at elevated oxygen pressures DE Morris, P Narwankar, APB Sinha, K Takano, B Fayn, VT Shum Physical Review B 41 (7), 4118, 1990 | 55 | 1990 |
| Funnel sculpting for in silico assembly of secondary structure elements of proteins B Fain, M Levitt Proceedings of the National Academy of Sciences 100 (19), 10700-10705, 2003 | 48 | 2003 |
| 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 | 44 | 2018 |
| A novel method for sampling alpha-helical protein backbones B Fain, M Levitt Journal of Molecular Biology 305 (2), 191-201, 2001 | 39 | 2001 |
| Design of an optimal Chebyshev‐expanded discrimination function for globular proteins B Fain, Y Xia, M Levitt Protein science 11 (8), 2010-2021, 2002 | 34* | 2002 |
| 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 | 28 | 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 | 20 | 2016 |
| 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 | 18 | 2023 |
| Polarizable force fields for proteins O Khoruzhii, O Butin, A Illarionov, I Leontyev, M Olevanov, V Ozrin, ... Protein Modelling, 91-134, 2014 | 18* | 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 | 10 | 2022 |
| Analyzing large data sets using a computer system B Fain US Patent 8,139,833, 2012 | 10 | 2012 |
| Neural Network Corrections to Intermolecular Interaction Terms of a Molecular Force Field Capture Nuclear Quantum Effects in Calculations of Liquid Thermodynamic Properties IV Kurnikov, L Pereyaslavets, G Kamath, SN Sakipov, E Voronina, O Butin, ... Journal of chemical theory and computation 20 (3), 1347-1357, 2024 | 4 | 2024 |
| 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 | 3 | 2024 |
| Combining Force Fields and Neural Networks for an Accurate Representation of Bonded Interactions G Kamath, A Illarionov, S Sakipov, L Pereyaslavets, IV Kurnikov, O Butin, ... The Journal of Physical Chemistry A 128 (4), 807-812, 2024 | 3 | 2024 |
| The Determination of Free Energy of Hydration of Water Ions from First Principles O Butin, L Pereyaslavets, G Kamath, A Illarionov, S Sakipov, IV Kurnikov, ... Journal of Chemical Theory and Computation 20 (12), 5215-5224, 2024 | 2 | 2024 |
Michael LevittStructural Biology, Stanford UniversityVerified email at stanford.edu