Combining docking, scoring and molecular field analyses to probe influenza neuraminidase-ligand interactions

Journal of Molecular Graphics and Modelling

Volumn 26, Issue 2, 2007, Pages 443-456

  Abu Hammad, Areej M ^a   Afifi, Fatma U ^a   Taha, Mutasem O ^a  

^a UNIVERSITY OF JORDAN   (Jordan)

Author keywords

Docking; Multiple binding modes; Neuraminidase inhibitors; Protein aligned CoMFA; Scoring

Indexed keywords

CRYSTALLOGRAPHY; ENZYME INHIBITION; LIGANDS; MOLECULAR STRUCTURE; STATISTICAL METHODS;

MULTIPLE BINDING MODES; NEURAMINIDASE INHIBITORS; PROTEIN-ALIGNED COMFA;

MOLECULAR BIOLOGY;

LIGAND; SIALIDASE; SIALIDASE INHIBITOR;

ARTICLE; BINDING SITE; CHEMICAL STRUCTURE; COMPARATIVE MOLECULAR FIELD ANALYSIS; CRYSTAL STRUCTURE; IONIZATION; MOLECULAR MODEL; PARTIAL LEAST SQUARES REGRESSION; PRIORITY JOURNAL; SCORING SYSTEM;

BINDING SITES; COMPUTER SIMULATION; ENZYME INHIBITORS; HUMANS; INFLUENZA, HUMAN; LIGANDS; MODELS, MOLECULAR; MOLECULAR STRUCTURE; NEURAMINIDASE; PROTEIN BINDING; PROTEIN STRUCTURE, TERTIARY; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 34548289768     PISSN: 10933263     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jmgm.2007.02.002     Document Type: Article

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