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Journal of Computer-Aided Molecular Design

Volumn 9, Issue 6, 1995, Pages 479-490

Molecular surface-volume and property matching to superpose flexible dissimilar molecules

(3) Perkins, T D J a Mills, J E J a Dean, P M a

a UNIVERSITY OF CAMBRIDGE (United Kingdom)

Author keywords

Drug design; Electrostatic potential; Hydrogen bonding; Molecular similarity; Molecular skin; Simulated annealing

Indexed keywords

ENZYME INHIBITOR; LIGAND; PROTEINASE INHIBITOR; SERINE PROTEINASE INHIBITOR; THROMBIN;

ARTICLE; BINDING SITE; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; DRUG ANTAGONISM; DRUG DESIGN; HUMAN; HYDROGEN BOND; X RAY CRYSTALLOGRAPHY;

ALLOSTERIC SITE; BINDING SITES; COMPUTER SIMULATION; CRYSTALLOGRAPHY, X-RAY; DRUG DESIGN; ENZYME INHIBITORS; HIV PROTEASE INHIBITORS; HUMANS; HYDROGEN BONDING; LIGANDS; MODELS, MOLECULAR; MOLECULAR STRUCTURE; SERINE PROTEINASE INHIBITORS; THROMBIN;

EID: 0029440003 PISSN: 0920654X EISSN: 15734951 Source Type: Journal
DOI: 10.1007/BF00124319 Document Type: Article

Times cited : (52)

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