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An Ensemble-Based Protocol for the Computational Prediction of Helix–Helix Interactions in G Protein-Coupled Receptors using Coarse-Grained Molecular Dynamics

[Image: see text] The accurate identification of the specific points of interaction between G protein-coupled receptor (GPCR) oligomers is essential for the design of receptor ligands targeting oligomeric receptor targets. A coarse-grained molecular dynamics computer simulation approach would provid...

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Veröffentlicht in:J Chem Theory Comput
Hauptverfasser: Altwaijry, Nojood A., Baron, Michael, Wright, David W., Coveney, Peter V., Townsend-Nicholson, Andrea
Format: Artigo
Sprache:Inglês
Veröffentlicht: American Chemical Society 2017
Online Zugang:https://ncbi.nlm.nih.gov/pmc/articles/PMC5557214/
https://ncbi.nlm.nih.gov/pubmed/28383913
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jctc.6b01246
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