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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.

Jianzhong ChenShaolong ZhangWei WangLaixue PangQinggang ZhangXinguo Liu
Published in: J. Chem. Inf. Model. (2021)
Keyphrases
  • free energy
  • molecular dynamics
  • database systems
  • lower bound
  • wireless sensor networks
  • dynamic programming
  • upper bound
  • data management
  • sufficient conditions