MemProtMD simulation of XFEL MT1R 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 6ps8.
q9v2j8, 2-phenyl melatonin, xfel, membrane protein, agomelatine, mt1, drug design, gpcr, lcp-sfx, pyrab, ligand exchange, complex-lcp method, sbdd, MemProtMD, membrane protein, simulation, coarse-grained, intrinsic membrane, martini, CG
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