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Markov State Models and Molecular Dynamics Simulations Reveal the Conformational Transition of the Intrinsically Disordered Hypervariable Region of K-Ras4B to the Ordered Conformation.

Hao ZhangDuan NiJigang FanMinyu LiJian ZhangChen HuaRuth NussinovShaoyong Lu
Published in: J. Chem. Inf. Model. (2022)
Keyphrases
  • distributed systems
  • load balancing
  • low energy
  • data analysis
  • complex systems
  • coarse grained
  • protein structure prediction