Fig. 4. Simulation of a membrane-bound N-Ras dimer. (A) The simulation system of a lipidated N-Ras dimer structural model attached to a POPC membrane inside a solvation box with a physiological salt (NaCl) concentration. (B) Representative protein structure of an 800 ns long MD simulation started with conformation I.10 (representative structure in accordance with all four experimentally measured distances). (C) Key residues of the protein–protein interaction network identified by contact analysis of the simulation trajectory. (D) The time course of the key contacts within the simulation of conformation I.10. All contacts and the root mean square displacement (RMSD) are shown in Fig. S7.†.