Biasing conformational ensembles towards bioactive-like conformers for ligand-based drug design

Expert Opinion on Drug Discovery

Volumn 5, Issue 10, 2010, Pages 943-959

  Musafia, Boaz ^a   Senderowitz, Hanoch ^b  

^a Faculty of Exact Sciences ^*  (Israel)

^b BAR ILAN UNIVERSITY   (Israel)

Author keywords

Bioactive conformer; Conformational ensemble focusing; Conformational search; Conformer filtration; Ligand based screening; Non bioactive conformers

Indexed keywords

BIOACTIVE CONFORMER; LIGAND; UNCLASSIFIED DRUG;

BIOLOGICAL ACTIVITY; COMPUTER AIDED DESIGN; COMPUTER PROGRAM; CONFORMATIONAL TRANSITION; DRUG ACTIVITY; DRUG CONFORMATION; DRUG DESIGN; DRUG DEVELOPMENT; ENERGY; EXPOSURE; HOME; MEDICAL LITERATURE; MEDICAL RESEARCH; PRIORITY JOURNAL; PUBLICATION; REVIEW; STRUCTURE ANALYSIS;

EID: 77956855101     PISSN: 17460441     EISSN: None     Source Type: Journal    
DOI: 10.1517/17460441.2010.513711     Document Type: Review

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