Mutation-Induced Impacts on the Switch Transformations of the GDP- and GTP-Bound K-Ras: Insights from Multiple Replica Gaussian Accelerated Molecular Dynamics and Free Energy Analysis
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DOI: 10.1021/acs.jcim.0c01470
Abstract: Mutations yield significant effect on the structural flexibility of two switch domains, SW1 and SW2, in K-Ras, which is considered as an important target of anticancer drug design. To unveil a molecular mechanism with regard… read more here.
Keywords: sw1 sw2; gaussian accelerated; gtp; gdp gtp ... See more keywords