A QSAR model derived from a homology model: A strategy to include structural information in ligand-based design

QSAR and Combinatorial Science

Volumn 24, Issue 4, 2005, Pages 517-526

  Grüneberg, Sven ^a  

^a SANOFI AVENTIS DEUTSCHLAND GMBH   (Germany)

Author keywords

Alignment; CoMFA Model; Docking; Homology model

Indexed keywords

BINDING ENERGY; COMPUTATIONAL CHEMISTRY; GOLD; LIGANDS; MOLECULAR GRAPHICS;

CARBOXYPEPTIDASE; COMFA-MODEL; DOCKING; HOMOLOGY MODELING; HYBRID HOMOLOGY; HYBRID LIGAND; QSAR MODEL; STRUCTURAL INFORMATION; STRUCTURE-BASED DESIGNS; UNCERTAINTY;

ALIGNMENT;

CARBOXYPEPTIDASE A; CARBOXYPEPTIDASE B; LIGAND; THROMBIN ACTIVATABLE FIBRINOLYSIS INHIBITOR;

CHEMICAL STRUCTURE; COMPARATIVE MOLECULAR FIELD ANALYSIS; CONFERENCE PAPER; MOLECULAR MODEL; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; STRUCTURAL HOMOLOGY; VALIDATION PROCESS;

EID: 20544446095     PISSN: 1611020X     EISSN: None     Source Type: Journal    
DOI: 10.1002/qsar.200430933     Document Type: Conference Paper

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