Fig. 6: Protein-membrane interactions.
From: Rescaling protein-protein interactions improves Martini 3 for flexible proteins in solution
MD simulations (four replicas, each 3 μs long) were performed for peripheral membrane proteins, multidomain proteins, and intrinsically disordered regions with appropriate membrane composition (see Methods for details). Simulations were performed with unmodified Martini 3 (blue), protein-water interactions in Martini 3 rescaled by λPW = 1.10 (orange), and protein-protein interactions in Martini 3 rescaled by λPP = 0.88 (green). For each system, the corresponding atomistic structure of the protein is shown on top. Boxplots show the first quartile, median, and third quartile; whiskers extend from the box to the farthest data point lying within 1.5 times the inter-quartile range from the box, and points outside the whiskers are shown individually. Source data are provided as a Source Data file.
