Multiple-ligand-based virtual screening: Methods and applications of the MTree approach

Journal of Medicinal Chemistry

Volumn 48, Issue 21, 2005, Pages 6575-6584

  Hessler, Gerhard ^a   Zimmermann, Marc ^b   Matter, Hans ^a   Evers, Andreas ^a   Naumann, Thorsten ^a   Lengauer, Thomas ^c   Rarey, Matthias ^d,e  

^a SANOFI AVENTIS DEUTSCHLAND GMBH   (Germany)

^b FRAUNHOFER INSTITUTE FOR ALGORITHMS AND SCIENTIFIC COMPUTING SCAI   (Germany)

^c MAX PLANCK INSTITUTE FOR INFORMATICS   (Germany)

^d UNIVERSITY OF HAMBURG   (Germany)

^e NONE   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

1' [N (1 CARBOXY 3 PHENYLPROPYL)ALANYL]SPIRO[BICYCLO[2.2.2]OCTANE 2,3' PYRROLIDINE] 5' CARBOXYLIC ACID 1 ETHYL ESTER; A 56365A; AM 4299B; AM 499B; ANGIOTENSIN ANTAGONIST; BRL 36378; C 107; CAPTOPRIL; CERANAPRIL; DIPEPTIDYL CARBOXYPEPTIDASE INHIBITOR; DR 0040266; DR 0049071; DR 9511320; DR 9511538; DR 9601142; DR 9608797; DR 9902034; ENALAPRIL; ENAMIPRIL; LISINOPRIL; MOVELTIPIR; N (1 CARBOXYETHYL)LEUCYLPROLINE N METHYLAMIDE; RAC X 65; RHC 3206; SQ 13297; SQ 26549; SQ 28084; UNCLASSIFIED DRUG;

ALGORITHM; ARTICLE; BINDING AFFINITY; DATA BASE; DRUG DESIGN; DRUG SCREENING; DRUG STRUCTURE; MATHEMATICAL MODEL; METHODOLOGY; STRUCTURE ANALYSIS;

ALGORITHMS; ANGIOTENSIN-CONVERTING ENZYME INHIBITORS; CRYSTALLOGRAPHY, X-RAY; DATABASES, FACTUAL; LIGANDS; MODELS, MOLECULAR; MOLECULAR STRUCTURE; PROTEIN BINDING; PROTEINS; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; RECEPTORS, ADRENERGIC, ALPHA-1; RENIN;

EID: 27144531318     PISSN: 00222623     EISSN: None     Source Type: Journal    
DOI: 10.1021/jm050078w     Document Type: Article

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