| Extra precision glide: Docking and scoring incorporating a model of hydrophobic enclosure for protein− ligand complexes RA Friesner, RB Murphy, MP Repasky, LL Frye, JR Greenwood, ... Journal of medicinal chemistry 49 (21), 6177-6196, 2006 | 6365 | 2006 |
| Glide: a new approach for rapid, accurate docking and scoring. 2. Enrichment factors in database screening TA Halgren, RB Murphy, RA Friesner, HS Beard, LL Frye, WT Pollard, ... Journal of medicinal chemistry 47 (7), 1750-1759, 2004 | 4872 | 2004 |
| Epik: a software program for pK a prediction and protonation state generation for drug-like molecules JC Shelley, A Cholleti, LL Frye, JR Greenwood, MR Timlin, M Uchimaya Journal of computer-aided molecular design 21, 681-691, 2007 | 1751 | 2007 |
| Accurate and reliable prediction of relative ligand binding potency in prospective drug discovery by way of a modern free-energy calculation protocol and force field L Wang, Y Wu, Y Deng, B Kim, L Pierce, G Krilov, D Lupyan, S Robinson, ... Journal of the American Chemical Society 137 (7), 2695-2703, 2015 | 1095 | 2015 |
| Cloning and characterization of ERG25, the Saccharomyces cerevisiae gene encoding C-4 sterol methyl oxidase. M Bard, DA Bruner, CA Pierson, ND Lees, B Biermann, L Frye, C Koegel, ... Proceedings of the National Academy of Sciences 93 (1), 186-190, 1996 | 198 | 1996 |
| Binding site elucidation of hydantoin-based antagonists of LFA-1 using multidisciplinary technologies: Evidence for the allosteric inhibition of a protein− protein interaction K Last-Barney, W Davidson, M Cardozo, LL Frye, CA Grygon, JL Hopkins, ... Journal of the American Chemical Society 123 (24), 5643-5650, 2001 | 162 | 2001 |
| Design and synthesis of dipeptide nitriles as reversible and potent cathepsin S inhibitors YD Ward, DS Thomson, LL Frye, CL Cywin, T Morwick, MJ Emmanuel, ... Journal of medicinal chemistry 45 (25), 5471-5482, 2002 | 111 | 2002 |
| Design and synthesis of dipeptide nitriles as reversible and potent cathepsin S inhibitors YD Ward, DS Thomson, LL Frye, CL Cywin, T Morwick, MJ Emmanuel, ... Journal of medicinal chemistry 45 (25), 5471-5482, 2002 | 111 | 2002 |
| Asymmetric induction during organometallic conjugate addition to enantiomerically pure 2-(arylsulfinyl)-2-cyclopentenones GH Posner, JP Mallamo, M Hulce, LL Frye Journal of the American Chemical Society 104 (15), 4180-4185, 1982 | 109 | 1982 |
| S)-(+)-2-(p-tolylsulfinyl)-2-buten-4-olide: an enantiomerically pure Michael acceptor for asymmetric synthesis of 3-substituted 4-butanolides.(—)-podorhizon. GH Posner, TP Kogan, SR Haines, LL Frye Tetrahedron letters 25 (25), 2627-2630, 1984 | 81 | 1984 |
| Accelerating drug discovery through tight integration of expert molecular design and predictive scoring R Abel, S Mondal, C Masse, J Greenwood, G Harriman, MA Ashwell, ... Current opinion in structural biology 43, 38-44, 2017 | 75 | 2017 |
| Asymmetric synthesis using enantiomerically pure 2-(p-anisylsulfinyl)-2-cycloalkenones GH Posner, LL Frye, M Hulce Tetrahedron 40 (8), 1401-1407, 1984 | 72 | 1984 |
| Synthesis of 24. xi.-squalamine, an anti-infective steroidal polyamine AD Pechulis, FH Bellevue III, CL Cioffi, SG Trapp, JP Fojtik, AA McKitty, ... The Journal of Organic Chemistry 60 (16), 5121-5126, 1995 | 68 | 1995 |
| Sulfonylation of organometallic reagents with arenesulfonyl fluorides: a simple one-step synthesis of sulfones LL Frye, EL Sullivan, KP Cusack, JM Funaro The Journal of organic chemistry 57 (2), 697-701, 1992 | 67 | 1992 |
| (+)-2-(p-toluenesulfinyl)-2-cyclopentenone: precursor for enantioselective synthesis of 3-substituted cyclopentanones M Hulce, JP Mallomo, LL Frye, TP Kogan, GH Posner Org. Synth 64 (4), 196, 1986 | 58 | 1986 |
| Purinone compounds as kinase inhibitors W Chen, DJ Loury, S Yan, L Wang, LL Frye US Patent 9,469,642, 2016 | 48 | 2016 |
| Enantiocontrolled Synthesis of (R)‐3‐Substituted Cyclohexanones Using (S)‐2‐(p‐Tolylsulfinyl)‐2‐cyclohexenone and Various Organometallic Reagents in 2, 5‐Dimethyltetrahydrofuran GH Posner, LL Frye Israel Journal of Chemistry 24 (2), 88-92, 1984 | 47 | 1984 |
| Locating a plausible binding site for an open-channel blocker, GlyH-101, in the pore of the cystic fibrosis transmembrane conductance regulator Y Norimatsu, A Ivetac, C Alexander, N O'Donnell, L Frye, MSP Sansom, ... Molecular pharmacology 82 (6), 1042-1055, 2012 | 45 | 2012 |
| From computer-aided drug discovery to computer-driven drug discovery L Frye, S Bhat, K Akinsanya, R Abel Drug Discovery Today: Technologies 39, 111-117, 2021 | 44 | 2021 |
| Lanosterol analogs: dual-action inhibitors of cholesterol biosynthesis LL Frye, DA Leonard Critical reviews in biochemistry and molecular biology 34 (2), 123-140, 1999 | 44 | 1999 |
