Fast structure-based virtual ligand screening combining FRED, DOCK, and surflex

Journal of Medicinal Chemistry

Volumn 48, Issue 19, 2005, Pages 6012-6022

  Miteva, Maria A ^a   Lee, Wen H ^a   Montes, Matthieu O ^a   Villoutreix, Bruno O ^a  

^a INSERM   (France)

Author keywords

[No Author keywords available]

Indexed keywords

1,3,5(10) ESTRATRIEN 3,11ALPHA DIOL 17 ONE 11ALPHA HEMISUCCINATE; 2 [3 (4 CARBAMIMIDOYLPHENYL)UREIDO] N [1 (3 OXO 3,4 DIHYDRO 2H BENZO[1,4]OXAZIN 6 YL)ETHYL]ACETAMIDE; 4 ACETAMIDO 3 GUANIDINOBENZOIC ACID; 7 O [2 (1,3 DIOXANYL)ETHYL] 3 (4 HYDROXYPHENYL) 4H 1 BENZOPYRAN 4 ONE; ASCORBIGEN; BLOOD CLOTTING FACTOR 7; ESTROGEN RECEPTOR; LIGAND; NAFOXIDENE; NEW DRUG; SIALIDASE; THYMIDINE KINASE; UNCLASSIFIED DRUG; [4 [(1 HYDROXYL 3 OXO 6,7 DIHYDRO 3H,5H PYRIDO[3,2,1 IJ]QUINOLINE 2 CARBONYL)AMINO]PHENYL]ACETIC ACID;

ACCURACY; ARTICLE; CHEMICAL BOND; COMPUTER PROGRAM; DATA BASE; DRUG BINDING SITE; DRUG SCREENING; DRUG STRUCTURE; MOLECULAR MECHANICS; MOLECULAR WEIGHT; PROTEIN FOLDING; VALIDATION PROCESS; VIRTUAL REALITY;

EID: 24944433024     PISSN: 00222623     EISSN: None     Source Type: Journal    
DOI: 10.1021/jm050262h     Document Type: Article

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