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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

2021Computers in Biology and Medicine49 citationsDOI

Topics & Concepts

Molecular switchMutantMolecular dynamicsMutationConformational changeBiophysicsChemistryGaussianStereochemistryGeneticsBiologyGeneMoleculeComputational chemistryOrganic chemistryProtein Kinase Regulation and GTPase SignalingEnzyme Structure and FunctionBioactive Compounds and Antitumor Agents
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 | Litcius