| CHARMM general force field: A force field for drug‐like molecules compatible with the CHARMM all‐atom additive biological force fields K Vanommeslaeghe, E Hatcher, C Acharya, S Kundu, S Zhong, J Shim, ... Journal of computational chemistry 31 (4), 671-690, 2010 | 6216 | 2010 |
| Update of the CHARMM all-atom additive force field for lipids: validation on six lipid types JB Klauda, RM Venable, JA Freites, JW O’Connor, DJ Tobias, ... The journal of physical chemistry B 114 (23), 7830-7843, 2010 | 4045 | 2010 |
| A polarizable model of water for molecular dynamics simulations of biomolecules G Lamoureux, E Harder, IV Vorobyov, B Roux, AD MacKerell Jr Chemical Physics Letters 418 (1-3), 245-249, 2006 | 685 | 2006 |
| Simulating monovalent and divalent ions in aqueous solution using a Drude polarizable force field H Yu, TW Whitfield, E Harder, G Lamoureux, I Vorobyov, VM Anisimov, ... Journal of chemical theory and computation 6 (3), 774-786, 2010 | 467 | 2010 |
| Determination of electrostatic parameters for a polarizable force field based on the classical Drude oscillator VM Anisimov, G Lamoureux, IV Vorobyov, N Huang, B Roux, ... Journal of chemical theory and computation 1 (1), 153-168, 2005 | 326 | 2005 |
| The different interactions of lysine and arginine side chains with lipid membranes L Li, I Vorobyov, TW Allen The journal of physical chemistry B 117 (40), 11906-11920, 2013 | 310 | 2013 |
| Additive and classical drude polarizable force fields for linear and cyclic ethers I Vorobyov, VM Anisimov, S Greene, RM Venable, A Moser, RW Pastor, ... Journal of chemical theory and computation 3 (3), 1120-1133, 2007 | 281 | 2007 |
| Polarizable empirical force field for alkanes based on the classical drude oscillator model IV Vorobyov, VM Anisimov, AD MacKerell The Journal of Physical Chemistry B 109 (40), 18988-18999, 2005 | 236 | 2005 |
| Polarizable empirical force field for the primary and secondary alcohol series based on the classical Drude model VM Anisimov, IV Vorobyov, B Roux, AD MacKerell Journal of chemical theory and computation 3 (6), 1927-1946, 2007 | 175 | 2007 |
| Atomic level anisotropy in the electrostatic modeling of lone pairs for a polarizable force field based on the classical Drude oscillator E Harder, VM Anisimov, IV Vorobyov, PEM Lopes, SY Noskov, ... Journal of chemical theory and computation 2 (6), 1587-1597, 2006 | 175 | 2006 |
| Hydrogen bonding in monomers and dimers of 2-aminoethanol I Vorobyov, MC Yappert, DB DuPré The Journal of Physical Chemistry A 106 (4), 668-679, 2002 | 139 | 2002 |
| Potential of Mean Force and pKa Profile Calculation for a Lipid Membrane-Exposed Arginine Side Chain L Li, I Vorobyov, TW Allen The journal of physical chemistry B 112 (32), 9574-9587, 2008 | 122 | 2008 |
| Conformational studies of sphingolipids by NMR spectroscopy. II. Sphingomyelin CM Talbott, I Vorobyov, D Borchman, KG Taylor, DB DuPré, MC Yappert Biochimica et Biophysica Acta (BBA)-Biomembranes 1467 (2), 326-337, 2000 | 114 | 2000 |
| Assessing atomistic and coarse-grained force fields for protein− lipid interactions: the formidable challenge of an ionizable side chain in a membrane I Vorobyov, L Li, TW Allen The journal of physical chemistry B 112 (32), 9588-9602, 2008 | 113 | 2008 |
| Ion conduction and conformational flexibility of a bacterial voltage-gated sodium channel C Boiteux, I Vorobyov, TW Allen Proceedings of the National Academy of Sciences 111 (9), 3454-3459, 2014 | 108 | 2014 |
| Ion-induced defect permeation of lipid membranes I Vorobyov, TE Olson, JH Kim, RE Koeppe, OS Andersen, TW Allen Biophysical journal 106 (3), 586-597, 2014 | 108 | 2014 |
| Is arginine charged in a membrane? L Li, I Vorobyov, AD MacKerell, TW Allen Biophysical journal 94 (2), L11-L13, 2008 | 107 | 2008 |
| Local anesthetic and antiepileptic drug access and binding to a bacterial voltage-gated sodium channel C Boiteux, I Vorobyov, RJ French, C French, V Yarov-Yarovoy, TW Allen Proceedings of the National Academy of Sciences 111 (36), 13057-13062, 2014 | 106 | 2014 |
| Glycero-versus sphingo-phospholipids: correlations with human and non-human mammalian lens growth MC Yappert, M Rujoi, D Borchman, I Vorobyov, R Estrada Experimental eye research 76 (6), 725-734, 2003 | 100 | 2003 |
| Atomistic simulations of membrane ion channel conduction, gating, and modulation E Flood, C Boiteux, B Lev, I Vorobyov, TW Allen Chemical Reviews 119 (13), 7737-7832, 2019 | 99 | 2019 |
