Mapping the druggable allosteric space of G-protein coupled receptors: a fragment-based molecular dynamics approach.
Chem Biol Drug Des. 2010 Sep 1; 76(3):201-17
Dimitrios Morikis
21 Aug 2012
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New Finding, Technical Advance
This article describes the combined use of crystallographic structures of turkey beta-1 and human beta-2 adrenergic receptors (AR), homology modeling, multicopy molecular dynamics simulations, and the FTMAP fragment-based mapping algorithm {1} to identify potential sites for drug-like ligand binding, which may...
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