Random forest: a classification and regression tool for compound classification and QSAR modeling V Svetnik, A Liaw, C Tong, JC Culberson, RP Sheridan, BP Feuston Journal of chemical information and computer sciences 43 (6), 1947-1958, 2003 | 3574 | 2003 |
A structural basis for drug-induced long QT syndrome JS Mitcheson, J Chen, M Lin, C Culberson, MC Sanguinetti Proceedings of the National Academy of Sciences 97 (22), 12329-12333, 2000 | 1139 | 2000 |
Comparison of topological, shape, and docking methods in virtual screening GB McGaughey, RP Sheridan, CI Bayly, JC Culberson, C Kreatsoulas, ... Journal of chemical information and modeling 47 (4), 1504-1519, 2007 | 494 | 2007 |
Crystal structure at 1.9-A resolution of human immunodeficiency virus (HIV) II protease complexed with L-735,524, an orally bioavailable inhibitor of the HIV proteases Z Chen, Y Li, E Chen, DL Hall, PL Darke, C Culberson, JA Shafer, LC Kuo Journal of Biological Chemistry 269 (42), 26344-26348, 1994 | 211 | 1994 |
Molecular determinants of voltage-dependent human ether-a-go-go related gene (HERG) K+ channel block JA Sánchez-Chapula, RA Navarro-Polanco, C Culberson, J Chen, ... Journal of Biological Chemistry 277 (26), 23587-23595, 2002 | 206 | 2002 |
Nonpeptidal P2 ligands for HIV protease inhibitors: structure-based design, synthesis, and biological evaluation AK Ghosh, JF Kincaid, DE Walters, Y Chen, NC Chaudhuri, ... Journal of medicinal chemistry 39 (17), 3278-3290, 1996 | 129 | 1996 |
An intermediate neglect of differential overlap (INDO) technique for lanthanide complexes: studies on lanthanide halides JC Culberson, P Knappe, N Rösch, MC Zerner Theoretica chimica acta 71, 21-39, 1987 | 124 | 1987 |
3-Aminopyrrolidinone farnesyltransferase inhibitors: design of macrocyclic compounds with improved pharmacokinetics and excellent cell potency IM Bell, SN Gallicchio, M Abrams, LS Beese, DC Beshore, ... Journal of medicinal chemistry 45 (12), 2388-2409, 2002 | 121 | 2002 |
Molecular determinants of KCNQ1 channel block by a benzodiazepine G Seebohm, J Chen, N Strutz, C Culberson, C Lerche, MC Sanguinetti Molecular pharmacology 64 (1), 70-77, 2003 | 108 | 2003 |
1-(((7, 7-Dimethyl-2 (S)-(2 (S)-amino-4-(methylsulfonyl) butyramido) bicyclo [2.2. 1] heptan-1 (S)-yl) methyl) sulfonyl)-4-(2-methylphenyl) piperazine (L-368,899): an orally … PD Williams, PS Anderson, RG Ball, MG Bock, LA Carroll, SHL Chiu, ... Journal of medicinal chemistry 37 (5), 565-571, 1994 | 101 | 1994 |
Tocolytic oxytocin receptor antagonists MG Bock, BE Evans, JC Culberson, KF Gilbert, KE Rittle, PD Williams US Patent 5,464,788, 1995 | 98 | 1995 |
Molecular transformations as a way of finding and exploiting consistent local QSAR RP Sheridan, P Hunt, JC Culberson Journal of chemical information and modeling 46 (1), 180-192, 2006 | 92 | 2006 |
Binding model for nonpeptide antagonists of αvβ3 integrin BP Feuston, JC Culberson, ME Duggan, GD Hartman, CT Leu, SB Rodan Journal of medicinal chemistry 45 (26), 5640-5648, 2002 | 92 | 2002 |
Conformational restriction of flexible ligands guided by the transferred noe experiment: potent macrocyclic inhibitors of farnesyltransferase CJ Dinsmore, MJ Bogusky, JC Culberson, JM Bergman, CF Homnick, ... Journal of the American Chemical Society 123 (9), 2107-2108, 2001 | 92 | 2001 |
Dihydroxypyridopyrazine-1, 6-dione HIV-1 integrase inhibitors JS Wai, B Kim, TE Fisher, L Zhuang, MW Embrey, PD Williams, DD Staas, ... Bioorganic & Medicinal Chemistry Letters 17 (20), 5595-5599, 2007 | 88 | 2007 |
Localized orbitals based on the Fermi hole WL Luken, JC Culberson Theoretica chimica acta 66, 279-293, 1984 | 88 | 1984 |
Imidazole-containing diarylether and diarylsulfone inhibitors of farnesyl-protein transferase CJ Dinsmore, TM Williams, TJ O'Neill, D Liu, E Rands, JC Culberson, ... Bioorganic & medicinal chemistry letters 9 (23), 3301-3306, 1999 | 86 | 1999 |
Structure-Based Design of HIV-1 Protease Inhibitors: Replacement of Two Amides and a 10. pi.-Aromatic System by a Fused Bis-tetrahydrofuran AK Ghosh, WJ Thompson, PMD Fitzgerald, JC Culberson, MG Axel, ... Journal of medicinal chemistry 37 (16), 2506-2508, 1994 | 84 | 1994 |
N-Arylpiperazinone Inhibitors of Farnesyltransferase: Discovery and Biological Activity TM Williams, JM Bergman, K Brashear, MJ Breslin, CJ Dinsmore, ... Journal of medicinal chemistry 42 (19), 3779-3784, 1999 | 78 | 1999 |
ZINDO: A semi-empirical program package MC Zerner, JE Ridley, AD Bacon, WD Edwards, JD Head, J McKelvey, ... University of Florida, Gainesville, FL 32611, 1999 | 78 | 1999 |