Enhancing specificity and sensitivity of pharmacophore-based virtual screening by incorporating chemical and shape features - A case study of HIV protease inhibitors

Journal of Chemical Information and Modeling

Volumn 46, Issue 3, 2006, Pages 1236-1244

  Pandit, Deepangi ^a   So, Sung Sau ^b   Sun, Hongmao ^b  

^a NEW JERSEY INSTITUTE OF TECHNOLOGY   (United States)

^b HOFFMANN LA ROCHE INC   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL COMPOUNDS; CONFORMATIONS; DATABASE SYSTEMS; DRUG PRODUCTS; IDENTIFICATION (CONTROL SYSTEMS); IMMUNOLOGY; VIRTUAL REALITY;

DRUG DISCOVERY; PHARMACOPHORE-BASED VS; TOLERANCE RADIUS; VIRTUAL SCREENING (VS);

SCREENING;

PROTEINASE INHIBITOR;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; CONFORMATION; DRUG DESIGN; SENSITIVITY AND SPECIFICITY;

DRUG DESIGN; HIV PROTEASE INHIBITORS; MODELS, MOLECULAR; MOLECULAR CONFORMATION; SENSITIVITY AND SPECIFICITY;

EID: 33745336208     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci050511a     Document Type: Article

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