FDA approved drugs complexed to their targets: Evaluating pose prediction accuracy of docking protocols

Journal of Molecular Modeling

Volumn 18, Issue 9, 2012, Pages 4263-4274

  Bohari, Mohammed H ^a   Sastry, G Narahari ^a  

^a INDIAN INSTITUTE OF CHEMICAL TECHNOLOGY   (India)

Author keywords

Docking; Drug repositioning; Drug target complex; FDAapproved drugs; Root mean square deviation (RMSD)

Indexed keywords

ACCURACY; ARTICLE; BINDING SITE; CRYSTAL STRUCTURE; DRUG REPOSITIONING; DRUG TARGETING; FOOD AND DRUG ADMINISTRATION; HYDROPHILIC INTERACTION CHROMATOGRAPHY; HYDROPHOBIC INTERACTION CHROMATOGRAPHY; PREDICTION; PRIORITY JOURNAL;

BINDING SITES; CRYSTALLOGRAPHY, X-RAY; DATABASES, PROTEIN; DRUG APPROVAL; HYDROGEN BONDING; HYDROPHOBIC AND HYDROPHILIC INTERACTIONS; LIGANDS; MOLECULAR DOCKING SIMULATION; PHARMACEUTICAL PREPARATIONS; PROTEINS; UNITED STATES; UNITED STATES FOOD AND DRUG ADMINISTRATION;

EID: 84867582901     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-012-1416-1     Document Type: Article

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