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An example of large conformational changes at the switch regions of K-Ras sampled during classical molecular dynamics simulations. Also highlighted are residues Gly10 and Gly60 used to define two reaction coordinates (the N-Cα-C-O dihedral of Gly60 and distance between Gly10-Gly60 Cα atoms) that helped classify Ras structures into active, inactive, intermediate and nucleotide-free [see ref. 52 for details].
