Receptor-based pharmacophore and pharmacophore key descriptors for virtual screening and QSAR modeling

Current Computer-Aided Drug Design

Volumn 7, Issue 3, 2011, Pages 181-189

  Dong, Xialan ^a   Ebalunode, Jerry O ^a   Yang, Sheng Yong ^c   Zheng, Weifan ^a,b  

^a NORTH CAROLINA CENTRAL UNIVERSITY   (United States)

^b UNC Hamner Institute for Drug Safety Sciences   (United States)

^c SICHUAN UNIVERSITY   (China)

Author keywords

Molecular shape; Pharmacophore; Pharmacophore key; QSAR; Virtual screening

Indexed keywords

COMPUTATIONAL CHEMISTRY; MOLECULAR GRAPHICS;

DESCRIPTORS; MOLECULAR SHAPES; PHARMACOPHORE KEY; PHARMACOPHORE MODELS; PHARMACOPHORES; QSAR; QSAR MODELING; SHAPE MATCHING; VIRTUAL SCREENING;

PHARMACODYNAMICS;

ANESTHETIC AGENT; APOFERRITIN; CYCLIN DEPENDENT KINASE 2 INHIBITOR; THYMIDINE KINASE;

ARTICLE; BINDING SITE; CONFORMATION; DRUG DEVELOPMENT; HYDROGEN BOND; MOLECULAR DOCKING; MOLECULAR SIZE; PHARMACOPHORE; PROTEIN STRUCTURE; QUANTITATIVE STRUCTURE ACTIVITY RELATION;

EID: 79961039903     PISSN: 15734099     EISSN: 18756697     Source Type: Journal    
DOI: 10.2174/157340911796504332     Document Type: Article

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