Raptor: Combining dual-shell representation, induced-fit simulation, and hydrophobicity scoring in receptor modeling: Application toward the simulation of structurally diverse ligand sets

Journal of Medicinal Chemistry

Volumn 47, Issue 25, 2004, Pages 6174-6186

  Lill, Markus A ^a   Vedani, Angelo ^a   Dobler, Max ^a  

^a Biographics Laboratory 3R   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

BRADYKININ B2 RECEPTOR; CHEMOKINE RECEPTOR CCR3; ESTROGEN RECEPTOR;

ARTICLE; BINDING AFFINITY; BINDING SITE; COMPUTER AIDED DESIGN; DRUG DESIGN; DRUG TARGETING; HYDROPHOBICITY; LIGAND BINDING; MACROMOLECULE; PROTEIN ANALYSIS; QUANTITATIVE STRUCTURE ACTIVITY RELATION; RAPTOR; RECEPTOR UPREGULATION; RELIABILITY; SCORING SYSTEM; SIMULATION; SOLVATION; STRUCTURE ANALYSIS;

BINDING SITES; CRYSTALLOGRAPHY, X-RAY; HYDROGEN BONDING; HYDROPHOBICITY; LIGANDS; MODELS, MOLECULAR; PROTEIN BINDING; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; RECEPTOR, BRADYKININ B2; RECEPTORS, CHEMOKINE; RECEPTORS, ESTROGEN;

EID: 9744281868     PISSN: 00222623     EISSN: None     Source Type: Journal    
DOI: 10.1021/jm049687e     Document Type: Article

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