Structural ensemble in computational drug screening

Expert Opinion on Drug Metabolism and Toxicology

Volumn 6, Issue 7, 2010, Pages 835-849

  Fukunishi, Yoshifumi ^a,b  

^a NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY AIST   (Japan)

^b Pharmaceutical Innovation Value Chain   (Japan)

Author keywords

consensus ligand binding mode analysis method; feature selection consensus scoring; in silico drug screening; MASC; multiple target screening method; pharmacogram method; protein compound docking; scoring confidence index; virtual screening

Indexed keywords

DRUG;

COMPUTER MODEL; COMPUTER PROGRAM; DRUG PROTEIN BINDING; HIGH THROUGHPUT SCREENING; LIGAND BINDING; MOLECULAR DOCKING; REVIEW; SCORING SYSTEM; STRUCTURE ACTIVITY RELATION;

ANIMALS; COMPUTATIONAL BIOLOGY; DRUG EVALUATION, PRECLINICAL; HUMANS; PHARMACEUTICAL PREPARATIONS; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 77953923520     PISSN: 17425255     EISSN: None     Source Type: Journal    
DOI: 10.1517/17425255.2010.486399     Document Type: Review

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