Partial activation of α7 nicotinic acetylcholine receptors: Insights from molecular dynamics simulations

Journal of Molecular Modeling

Volumn 19, Issue 2, 2013, Pages 871-878

  Shi, Caijuan ^a   Yu, Rilei ^b   Shao, Shengjuan ^a   Li, Yanni ^a  

^a TIANJIN UNIVERSITY   (China)

^b UNIVERSITY OF QUEENSLAND   (Australia)

Author keywords

Binding energy; Conformation; Homology modeling; MM GB SA; Molecular docking

Indexed keywords

[3 (4 HYDROXY 2 METHOXYBENZYLIDINE) ANABASEINE]; BUNGAROTOXIN RECEPTOR; HYDROGEN; NICOTINIC AGENT; TROPISETRON; UNCLASSIFIED DRUG; WATER;

ARTICLE; BINDING SITE; CHEMICAL STRUCTURE; CONFORMATION; DRUG RECEPTOR BINDING; HYDROGEN BOND; MOLECULAR DOCKING; MOLECULAR DYNAMICS; PRESSURE; PRIORITY JOURNAL; SEQUENCE ALIGNMENT; STATIC ELECTRICITY; TEMPERATURE;

ANIMALS; BENZYLIDENE COMPOUNDS; BINDING SITES; CARRIER PROTEINS; HUMANS; INDOLES; MOLECULAR DOCKING SIMULATION; MOLECULAR DYNAMICS SIMULATION; NICOTINIC AGONISTS; PROTEIN BINDING; PROTEIN STRUCTURE, SECONDARY; PROTEIN STRUCTURE, TERTIARY; PYRIDINES; RECEPTORS, NICOTINIC; STATIC ELECTRICITY; THERMODYNAMICS;

EID: 84877146708     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-012-1618-6     Document Type: Article

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