Elucidating conformational dynamics of GDP/GTP-KRAS complexes caused by mutations from the switch domain I through Gaussian accelerated molecular dynamics simulations.

The conformational dynamics of the switch domain 1 (SWI) of KRAS plays an important role in binding of KRAS to effectors. Clarifying molecular mechanism of the effect of mutations in SWI on conformational dynamics of KRAS is of significance for under…

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