FLEXE: Efficient molecular docking considering protein structure variations

Journal of Molecular Biology

Volumn 308, Issue 2, 2001, Pages 377-395

  Claußen, Holger ^a   Buning, Christian ^a   Rarey, Matthias ^a   Lengauer, Thomas ^a  

^a FRAUNHOFER INSTITUTE FOR APPLIED INFORMATION TECHNOLOGY FIT   (Germany)

Author keywords

Aldose reductase; Flexible protein ligand molecular docking; Protein ensembles; Protein flexibility; Structure based drug design

Indexed keywords

ALDEHYDE REDUCTASE; CARBONATE DEHYDRATASE; CARBOXYPEPTIDASE; DIHYDROFOLATE REDUCTASE; ISOCITRATE DEHYDROGENASE; LIGAND; MANDELATE RACEMASE; RICIN; SERINE TRANSFER RNA LIGASE; TRYPSIN;

ARTICLE; CALCULATION; COMPUTER PROGRAM; CRYSTAL STRUCTURE; POINT MUTATION; PRIORITY JOURNAL; PROTEIN CONFORMATION; PROTEIN STRUCTURE; SEQUENCE HOMOLOGY; STATISTICS;

RUMEX;

EID: 0035957528     PISSN: 00222836     EISSN: None     Source Type: Journal    
DOI: 10.1006/jmbi.2001.4551     Document Type: Article

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