PRO_SELECT: Combining structure-based drug design and combinatorial chemistry for rapid lead discovery. 1. Technology

Journal of Computer-Aided Molecular Design

Volumn 11, Issue 2, 1997, Pages 193-207

  Murray, Christopher W ^a   Clark, David E ^a,b   Auton, Timothy R ^a   Firth, Michael A ^a   Li, Jin ^a   Sykes, Richard A ^a   Waszkowycz, Bohdan ^a   Westhead, David R ^a,c   Young, Stephen C ^a  

^a Proteus Molecular Design Ltd   (United Kingdom)

^b SANOFI   (France)

^c WELLCOME TRUST SANGER INSTITUTE   (United Kingdom)

Author keywords

Combinatorial chemistry; De novo molecular design; Structure based drug design; Synthetic constraint; Thrombin inhibitors

Indexed keywords

BIOCHIPS; ENZYMES; FREE ENERGY; MACHINE DESIGN; SEARCH ENGINES; SYNTHESIS (CHEMICAL);

ACTIVE SITE; COMBINATORIAL CHEMISTRY; DATABASE SEARCHING; DE NOVO MOLECULAR DESIGN; MOLECULAR DESIGN; NOVEL METHODOLOGY; STRUCTURE BASED DRUG DESIGNS; SYNTHETIC CONSTRAINT; TARGETS OF INTEREST; THROMBIN INHIBITORS;

BINDING ENERGY;

SERINE PROTEINASE INHIBITOR; THROMBIN;

ARTICLE; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER AIDED DESIGN; COMPUTER PROGRAM; DRUG ANTAGONISM; DRUG DESIGN; EVALUATION; FACTUAL DATABASE;

COMPUTER-AIDED DESIGN; DATABASES, FACTUAL; DRUG DESIGN; EVALUATION STUDIES; MODELS, CHEMICAL; MOLECULAR STRUCTURE; SERINE PROTEINASE INHIBITORS; SOFTWARE; THROMBIN;

EID: 0031087525     PISSN: 0920654X     EISSN: None     Source Type: Journal    
DOI: 10.1023/A:1008094712424     Document Type: Article

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