Accelerated molecular dynamics simulations of ligand binding to a muscarinic G-protein-coupled receptor

Quarterly Reviews of Biophysics

Volumn 48, Issue 4, 2015, Pages 479-487

  Kappel, Kalli ^a   Miao, Yinglong ^a   Andrew McCammon, J ^a  

^a UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

accelerated molecular dynamics; enhanced sampling; G protein coupled receptor; Ligand binding; M3 muscarinic receptor

Indexed keywords

ACETYLCHOLINE; ARECOLINE; G PROTEIN COUPLED RECEPTOR; LIGAND; MUSCARINIC M2 RECEPTOR; MUSCARINIC M3 RECEPTOR; PROTEIN BINDING; TIOTROPIUM BROMIDE;

BINDING SITE; CHEMISTRY; COMPUTER SIMULATION; HUMAN; MOLECULAR DYNAMICS;

ACETYLCHOLINE; ALLOSTERIC SITE; ARECOLINE; BINDING SITES; COMPUTER SIMULATION; HUMANS; LIGANDS; MOLECULAR DYNAMICS SIMULATION; PROTEIN BINDING; RECEPTOR, MUSCARINIC M2; RECEPTOR, MUSCARINIC M3; RECEPTORS, G-PROTEIN-COUPLED; TIOTROPIUM BROMIDE;

EID: 84938914048     PISSN: 00335835     EISSN: 14698994     Source Type: Journal    
DOI: 10.1017/S0033583515000153     Document Type: Article

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