Flexible 3D pharmacophores as descriptors of dynamic biological space

Journal of Molecular Graphics and Modelling

Volumn 26, Issue 3, 2007, Pages 622-633

  Nettles, James H ^a   Jenkins, Jeremy L ^a   Williams, Chris ^b   Clark, Alex M ^b   Bender, Andreas ^a   Deng, Zhan ^a   Davies, John W ^a   Glick, Meir ^a  

^a NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH   (United States)

^b INSTITUTE FOR RESEARCH IN IMMUNOLOGY AND CANCER   (Canada)

Author keywords

3D descriptors; Biological space; Chemical space; FEPOPS; Pharmacophore; Virtual screening

Indexed keywords

ALGORITHMS; CONFORMATIONS; CRYSTAL STRUCTURE; LIGANDS; OPTIMIZATION; PROTEINS; THREE DIMENSIONAL;

BIOLOGICAL SPACE; CHEMICAL SPACE; PHARMACOPHORES; VIRTUAL SCREENING;

PHARMACODYNAMICS;

ADENOSINE TRIPHOSPHATE; BALANOL; NEVIRAPINE; SCAFFOLD PROTEIN;

ARTICLE; DRUG STRUCTURE; IMAGE PROCESSING; MATHEMATICAL ANALYSIS; MEDICAL INFORMATION; MOLECULAR DOCKING; MOLECULAR DYNAMICS; MOLECULAR MODEL; PHARMACOPHORE; PRIORITY JOURNAL;

ALGORITHMS; COMBINATORIAL CHEMISTRY TECHNIQUES; DATABASES, FACTUAL; DRUG DESIGN; IMAGING, THREE-DIMENSIONAL; LIGANDS; PHARMACEUTICAL PREPARATIONS; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 34848919746     PISSN: 10933263     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jmgm.2007.02.005     Document Type: Article

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