Fig. 1: Membrane protein integrative modeling workflow.
From: Integrative modeling of membrane-associated protein assemblies
a The representative coarse-grained membrane snapshot from the MemProtMD database is selected39 (http://memprotmd.bioch.ox.ac.uk/). b The coarse-grained transmembrane receptor is replaced by its corresponding atomistic structure. c The binding-competent regions are sampled with LightDock using the membrane defined by beads corresponding to the phosphate positions. The resulting top 100 docked models are selected for final refinement. d Refinement with HADDOCK following a coarse-grained to all-atom protocol and final scoring.
