An integrated approach to ligand- and structure-based drug design: Development and application to a series of serine protease inhibitors

Journal of Chemical Information and Modeling

Volumn 48, Issue 6, 2008, Pages 1211-1226

  Nicolotti, Orazio ^a   Miscioscia, Teresa Fabiola ^a   Carotti, Andrea ^a   Leonetti, Francesco ^a   Carotti, Angelo ^a  

^a UNIVERSITY OF BARI   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

AMINO ACIDS; BINDING ENERGY; GENETIC ALGORITHMS; LIGANDS;

DEVELOPMENT AND APPLICATIONS; GEOMETRIC DEVIATIONS; INTERFACE STRUCTURES; LIGAND BINDING AFFINITY; MOLECULAR DETERMINANTS; QUANTITATIVE STRUCTURE ACTIVITY RELATIONSHIP; SERINE PROTEASE INHIBITOR; STRUCTURE BASED DRUG DESIGNS;

STRUCTURAL DESIGN;

LIGAND; SERINE PROTEINASE; SERINE PROTEINASE INHIBITOR;

ALGORITHM; ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER PROGRAM; CONFORMATION; DRUG DESIGN; METABOLISM; QUANTITATIVE STRUCTURE ACTIVITY RELATION; REPRODUCIBILITY; SENSITIVITY AND SPECIFICITY;

ALGORITHMS; DRUG DESIGN; LIGANDS; MODELS, MOLECULAR; MOLECULAR CONFORMATION; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; REPRODUCIBILITY OF RESULTS; SENSITIVITY AND SPECIFICITY; SERINE ENDOPEPTIDASES; SERINE PROTEINASE INHIBITORS; SOFTWARE;

EID: 47349132311     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci800015s     Document Type: Article

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