Docking to flexible nicotinic acetylcholine receptors: A validation study using the acetylcholine binding protein

Journal of Molecular Graphics and Modelling

Volumn 29, Issue 3, 2010, Pages 415-424

  Sander, Tommy ^a   Bruun, Anne T ^b   Balle, Thomas ^a  

^a UNIVERSITY OF COPENHAGEN   (Denmark)

^b H LUNDBECK A S   (Denmark)

Author keywords

Acetylcholine binding protein; Acetylcholine receptors; AChBP; Ensemble generation; Molecular docking; NAChR; Nicotinic; Protein flexibility

Indexed keywords

ACETYLCHOLINE RECEPTOR; ACETYLCHOLINE-BINDING PROTEINS; ACHBP; ENSEMBLE GENERATION; MOLECULAR DOCKING; NACHR; NICOTINIC; PROTEIN FLEXIBILITY;

BINDING ENERGY; DOCKING; INVERSE KINEMATICS; MOLECULAR MODELING; PROTEINS;

LIGANDS;

ACETYLCHOLINE BINDING PROTEIN; ANABASEINE; BINDING PROTEIN; CARBACHOL; CLOTHIANIDIN; COCAINE; EPIBATIDINE; IMIDACLOPRID; LOBELINE; NICOTINE; NICOTINIC RECEPTOR; THIACLOPRID; TROPISETRON; UNCLASSIFIED DRUG;

ARTICLE; BINDING AFFINITY; GEOMETRY; LIGAND BINDING; MOLECULAR DOCKING; PRIORITY JOURNAL; PROTEIN BINDING; PROTEIN CONFORMATION; PROTEIN STRUCTURE; STRUCTURAL HOMOLOGY; VALIDATION STUDY;

ANIMALS; BINDING SITES; CARRIER PROTEINS; COMPUTER SIMULATION; LIGANDS; MODELS, MOLECULAR; MOLECULAR STRUCTURE; PROTEIN BINDING; PROTEIN STRUCTURE, SECONDARY; RECEPTORS, NICOTINIC; REPRODUCIBILITY OF RESULTS;

EID: 78649511601     PISSN: 10933263     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jmgm.2010.08.004     Document Type: Article

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