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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 ChenLifei WangWei WangHaibo SunLaixue PangHuayin Bao
Published in: Comput. Biol. Medicine (2021)
Keyphrases
  • principal component analysis
  • molecular dynamics simulations
  • molecular dynamics
  • principal components
  • dimensionality reduction
  • covariance matrix
  • protein folding
  • building blocks