Local neighborhood behavior in a combinatorial library context

Journal of Computer-Aided Molecular Design

Volumn 25, Issue 3, 2011, Pages 237-252

  Horvath, Dragos ^a   Koch, Christian ^b   Schneider, Gisbert ^b   Marcou, Gilles ^a   Varnek, Alexandre ^a  

^a UNIVERSITÉ DE STRASBOURG   (France)

^b ETH ZURICH   (Switzerland)

Author keywords

Fuzzy pharmacophore; Neighborhood behavior; Pharmacophore descriptor; Protease inhibition; Similarity; Virtual screening

Indexed keywords

PHARMACODYNAMICS;

DESCRIPTORS; FUZZY PHARMACOPHORE; LOCAL NEIGHBORHOODS; NEIGHBORHOOD BEHAVIOR; NEIGHBOURHOOD; PHARMACOPHORE DESCRIPTORS; PHARMACOPHORES; PROTEASE INHIBITION; SIMILARITY; VIRTUAL SCREENING;

DIGITAL LIBRARIES;

BLOOD CLOTTING FACTOR 10A; CHYMOTRYPSIN; TRYPSIN; TRYPTASE; UROKINASE;

ARTICLE; COMBINATORIAL LIBRARY; CONTROLLED STUDY; ENZYME BINDING; IC 50; MOLECULAR DYNAMICS; MOLECULAR INTERACTION; NEIGHBORHOOD BEHAVIOR SCORE; PH MEASUREMENT; PHARMACOPHORE; PRIORITY JOURNAL; PROCESS OPTIMIZATION; QUALITY CONTROL; QUANTITATIVE STRUCTURE ACTIVITY RELATION;

EID: 79956008231     PISSN: 0920654X     EISSN: 15734951     Source Type: Journal    
DOI: 10.1007/s10822-011-9416-2     Document Type: Article

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