Conformational transformation of switch domains in GDP/K-Ras induced by G13 mutants: An investigation through Gaussian accelerated molecular dynamics simulations and principal component analysis
Jianzhong Chen, Lifei Wang, Wei Wang, Haibo Sun, Laixue Pang, Huayin Bao
Topics & Concepts
Molecular switchMutantMolecular dynamicsMutationConformational changeBiophysicsChemistryGaussianStereochemistryGeneticsBiologyGeneMoleculeComputational chemistryOrganic chemistryProtein Kinase Regulation and GTPase SignalingEnzyme Structure and FunctionBioactive Compounds and Antitumor Agents