MemProtMD simulation of XFEL A2aR structure by ligand exchange in a lipid bilayer at both coarse-grained and atomistic respresentation, including both file download and analysis. Classification based on PDB 6ps7.
xfel, luf5843, a2aar, drug design, c562, gpcr, lcp-sfx, ligand exchange, zm241385, ecolx, complex-lcp method, membrane protein, sbdd, MemProtMD, membrane protein, simulation, coarse-grained, intrinsic membrane, martini, CG
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