Development and testing of a de novo drug-design algorithm

Journal of Computer-Aided Molecular Design

Volumn 17, Issue 10, 2003, Pages 621-641

  Pellegrini, Eric ^a   Field, Martin J ^a  

^a CEA GRENOBLE   (France)

Author keywords

De novo drug design; Genetic algorithms; Neuraminidase; Sequential growth; Structure based drug design

Indexed keywords

BINDING SITES; MOLECULES; PROTEINS; QUANTUM CHEMISTRY; VIRUSES;

BINDING-SITES; DATABANKS; DE NOVO DRUG DESIGN; DEVELOPMENT AND TESTING; DRUG DESIGN; MOLECULAR MECHANICALS; NEURAMINIDASE; QUANTUM-CHEMICAL METHODS; SEQUENTIAL GROWTH; STRUCTURE BASED DRUG DESIGNS;

GENETIC ALGORITHMS;

LIGAND; SIALIDASE INHIBITOR; VIRUS SIALIDASE;

ALGORITHM; ARTICLE; BINDING SITE; COMPUTER PROGRAM; CONTROLLED STUDY; DRUG DESIGN; DRUG STRUCTURE; INFLUENZA VIRUS; MACROMOLECULE; MATHEMATICAL COMPUTING; METHODOLOGY; MOLECULAR MECHANICS; PRIORITY JOURNAL; PROTEIN BINDING; QUANTUM CHEMISTRY; SIMULATION;

EID: 1542608322     PISSN: 0920654X     EISSN: None     Source Type: Journal    
DOI: 10.1023/B:JCAM.0000017362.66268.d5     Document Type: Article

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