Predicting molecular interactions in silico: I. An updated guide to pharmacophore identification and its applications to drug design

Frontiers in Medicinal Chemistry

Volumn 3, Issue 1, 2006, Pages 551-584

  Dror, Oranit ^a   Shulman Peleg, Alexandra ^a   Nussinov, Ruth ^a,b   Wolfson, Haim J ^a  

^a TEL AVIV UNIVERSITY   (Israel)

^b SAIC FREDERICK INC   (United States)

Author keywords

Computer aided drug design; De novo design; Docking; Lead generation; Ligand based pharmacophore; Pharmacophore fingerprints; Pharmacophore mapping; Pharmacophore searching; Pharmacophore modeling; Receptor based pharmacophore; Virtual screening

Indexed keywords

4 HYDROXYTAMOXIFEN; ESTRADIOL; IMATINIB; RALOXIFENE;

ALGORITHM; COMPUTER AIDED DESIGN; COMPUTER PROGRAM; CONFORMATIONAL TRANSITION; DRUG BINDING SITE; DRUG CONFORMATION; DRUG DESIGN; DRUG RECEPTOR BINDING; DRUG STRUCTURE; IMAGE PROCESSING; INFORMATION PROCESSING; LIGAND BINDING; MOLECULAR DOCKING; MOLECULAR DYNAMICS; MOLECULAR INTERACTION; PHARMACOPHORE; PREDICTION; QUANTITATIVE STRUCTURE ACTIVITY RELATION; REVIEW; STRUCTURAL BIOINFORMATICS; STRUCTURAL HOMOLOGY; STRUCTURE ANALYSIS;

EID: 34547482387     PISSN: 15672042     EISSN: 18755763     Source Type: Book Series    
DOI: None     Document Type: Review

References (185)