| Molecular electrostatics G Naray-Szabo, GG Ferenczy Chemical reviews 95 (4), 829-847, 1995 | 485 | 1995 |
| Quantum mechanical computations on very large molecular systems: The local self‐consistent field method V Théry, D Rinaldi, JL Rivail, B Maigret, GG Ferenczy Journal of computational chemistry 15 (3), 269-282, 1994 | 436 | 1994 |
| Design principles for fragment libraries: maximizing the value of learnings from pharma fragment-based drug discovery (FBDD) programs for use in academia GM Keserű, DA Erlanson, GG Ferenczy, MM Hann, CW Murray, ... Journal of medicinal chemistry 59 (18), 8189-8206, 2016 | 249 | 2016 |
| Semiempirical AM1 electrostatic potentials and AM1 electrostatic potential derived charges: A comparison with ab initio values GG Ferenczy, CA Reynolds, WG Richards Journal of computational chemistry 11 (2), 159-169, 1990 | 174 | 1990 |
| Thermodynamics guided lead discovery and optimization GG Ferenczy, GM Keserű Drug discovery today 15 (21-22), 919-932, 2010 | 155 | 2010 |
| Comparative evaluation of covalent docking tools A Scarpino, GG Ferenczy, GM Keserű Journal of Chemical Information and Modeling 58 (7), 1441-1458, 2018 | 138 | 2018 |
| A road map for prioritizing warheads for cysteine targeting covalent inhibitors P Abranyi-Balogh, L Petri, T Imre, P Szijj, A Scarpino, M Hrast, A Mitrović, ... European journal of medicinal chemistry 160, 94-107, 2018 | 125 | 2018 |
| NDDO fragment self‐consistent field approximation for large electronic systems GG Ferenczy, JL Rivail, PR Surján, G Náray‐Szabó Journal of computational chemistry 13 (7), 830-837, 1992 | 116 | 1992 |
| Exact density functional and wave function embedding schemes based on orbital localization B Hégely, PR Nagy, GG Ferenczy, M Kállay The Journal of Chemical Physics 145 (6), 2016 | 107 | 2016 |
| Structure-based optimization strategies for G protein-coupled receptor (GPCR) allosteric modulators: a case study from analyses of new metabotropic glutamate receptor 5 (mGlu5 … JA Christopher, Z Orgován, M Congreve, AS Doré, JC Errey, FH Marshall, ... Journal of medicinal chemistry 62 (1), 207-222, 2018 | 93 | 2018 |
| The molecular structure of uracil: an electron diffraction study G Ferenczy, L Harsányi, B Rozsondai, I Hargittai Journal of molecular structure 140 (1-2), 71-77, 1986 | 92 | 1986 |
| Transferable net atomic charges from a distributed multipole analysis for the description of electrostatic properties: a case study of saturated hydrocarbons C Chipot, JG Angyan, GG Ferenczy, HA Scheraga The Journal of Physical Chemistry 97 (25), 6628-6636, 1993 | 87 | 1993 |
| Structure-based virtual screening approaches in kinase-directed drug discovery D Bajusz, G G Ferenczy, G M Keseru Current topics in medicinal chemistry 17 (20), 2235-2259, 2017 | 85 | 2017 |
| Charges derived from distributed multipole series GG Ferenczy Journal of computational chemistry 12 (8), 913-917, 1991 | 83 | 1991 |
| How are fragments optimized? A retrospective analysis of 145 fragment optimizations GG Ferenczy, GM Keserű Journal of medicinal chemistry 56 (6), 2478-2486, 2013 | 76 | 2013 |
| Thermodynamics of fragment binding GG Ferenczy, GM Keserű Journal of chemical information and modeling 52 (4), 1039-1045, 2012 | 72 | 2012 |
| Enthalpic efficiency of ligand binding GG Ferenczy, GM Keserű Journal of chemical information and modeling 50 (9), 1536-1541, 2010 | 66 | 2010 |
| Toward improved force fields. 1. Multipole-derived atomic charges PJ Winn, GG Ferenczy, CA Reynolds The Journal of Physical Chemistry A 101 (30), 5437-5445, 1997 | 66 | 1997 |
| Classical polarization in hybrid QM/MM methods CJR Illingworth, SR Gooding, PJ Winn, GA Jones, GG Ferenczy, ... The Journal of Physical Chemistry A 110 (20), 6487-6497, 2006 | 63 | 2006 |
| Toward improved force fields. 2. Effective distributed multipoles GG Ferenczy, PJ Winn, CA Reynolds The Journal of Physical Chemistry A 101 (30), 5446-5455, 1997 | 63 | 1997 |
