Microscopic binding of M5 muscarinic acetylcholine receptor with antagonists by homology modeling, molecular docking, and molecular dynamics simulation

Journal of Physical Chemistry B

Volumn 116, Issue 1, 2012, Pages 532-541

  Huang, Xiaoqin ^a   Zheng, Guangrong ^b   Zhan, Chang Guo ^a  

^a University of Kentucky   (United States)

^b UNIVERSITY OF ARKANSAS FOR MEDICAL SCIENCES   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

DYNAMICS; FREE ENERGY; HYDROGEN BONDS; LIPID BILAYERS; MODEL STRUCTURES; MOLECULAR DYNAMICS; MOLECULAR MODELING; THREE DIMENSIONAL;

BINDING AFFINITIES; BINDING FREE ENERGY; BINDING MODES; BINDING POCKETS; CARBONYL GROUPS; CHARGED RESIDUES; COMPUTATIONAL STUDIES; HOMOLOGY MODELING; HYDROGEN BONDING INTERACTIONS; MOLECULAR DOCKING; MOLECULAR DYNAMICS SIMULATIONS; MUSCARINIC ACETYLCHOLINE RECEPTORS; SIDE-CHAINS; SIMULATED RESULTS; SOLIFENACIN; STRUCTURAL INSIGHTS; STRUCTURAL MODELS; THREE-DIMENSIONAL (3D); TRANSMEMBRANE HELICES;

BINDING ENERGY;

EID: 84855849794     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp210579b     Document Type: Article

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