Molecular field extreme as descriptors of biological activity: Definition and validation

Journal of Chemical Information and Modeling

Volumn 46, Issue 2, 2006, Pages 665-676

  Cheeseright, Tim ^a   Mackey, Mark ^a   Rose, Sally ^a   Vinter, Andy ^a  

^a Cresset BioMolecular Discovery Ltd   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRIC FIELDS; HYDROPHOBICITY; MOLECULAR STRUCTURE; TESTING; THREE DIMENSIONAL; VIRUSES;

HIV NNRTI; HYDROPHOBIC FIELDS; MOLECULAR FIELD DESCRIPTORS; THROMBIN LIGANDS;

MOLECULAR DYNAMICS;

ANTI HUMAN IMMUNODEFICIENCY VIRUS AGENT; THROMBIN;

ALGORITHM; ARTICLE; BIOLOGICAL MODEL; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; CONFORMATION; DRUG ANTAGONISM; DRUG DESIGN; STRUCTURE ACTIVITY RELATION; VALIDATION STUDY;

ALGORITHMS; ANTI-HIV AGENTS; DRUG DESIGN; MODELS, BIOLOGICAL; MODELS, CHEMICAL; MOLECULAR CONFORMATION; MOLECULAR STRUCTURE; STRUCTURE-ACTIVITY RELATIONSHIP; THROMBIN;

EID: 33646227896     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci050357s     Document Type: Conference Paper

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