Mapping of allosteric druggable sites in activation-associated conformers of the M2 muscarinic receptor

Chemical Biology and Drug Design

Volumn 83, Issue 2, 2014, Pages 237-246

  Miao, Yinglong ^a   Nichols, Sara E ^a   McCammon, J Andrew ^a  

^a UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

accelerated molecular dynamics; allosteric sites; FTMAP; GPCR; M2 muscarinic receptor; receptor selective drugs

Indexed keywords

MUSCARINIC M2 RECEPTOR; MUSCARINIC M3 RECEPTOR; TIOTROPIUM BROMIDE;

ALLOSTERISM; ARTICLE; DRUG BINDING SITE; DRUG DESIGN; HYDROPHILICITY; HYDROPHOBICITY; MOLECULAR DOCKING; MOLECULAR DYNAMICS; MOLECULAR LIBRARY; PRIORITY JOURNAL; PROTEIN SECONDARY STRUCTURE; STATIC ELECTRICITY;

ACCELERATED MOLECULAR DYNAMICS; ALLOSTERIC SITES; FTMAP; GPCR; M2 MUSCARINIC RECEPTOR; RECEPTOR-SELECTIVE DRUGS;

ALLOSTERIC SITE; BINDING SITES; HUMANS; MOLECULAR DYNAMICS SIMULATION; PROTEIN STRUCTURE, SECONDARY; PROTEIN STRUCTURE, TERTIARY; RECEPTOR, MUSCARINIC M2; SOLVENTS;

EID: 84892531306     PISSN: 17470277     EISSN: 17470285     Source Type: Journal    
DOI: 10.1111/cbdd.12233     Document Type: Article

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