Interplay of G Protein-Coupled Receptors with the Membrane: Insights from Supra-Atomic Coarse Grain Molecular Dynamics Simulations

摘要: G protein-coupled receptors (GPCRs) are central to many fundamental cellular signaling pathways. They transduce signals from the outside inside of cells in physiological processes ranging vision immune response. It is extremely challenging look at them individually using conventional experimental techniques. Recently, a pseudo atomistic molecular model has emerged as valuable tool access information on GPCRs, more specifically their interactions with environment native cell membrane and consequences supramolecular organization. This approach uses Martini coarse grain (CG) describe receptors, lipids, solvent dynamics (MD) simulations enough detail allow conserving chemical specificity different molecules. The elimination unnecessary degrees freedom opened up large-scale lipid-mediated organization GPCRs. Here, after introducing CGMD method, ...