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Efficient Conformational Sampling of Collective Motions of Proteins with Principal Component Analysis-Based Parallel Cascade Selection Molecular Dynamics.

Takunori YasudaYasuteru ShigetaRyuhei Harada
Published in: J. Chem. Inf. Model. (2020)
Keyphrases
  • molecular dynamics
  • protein folding
  • principal component analysis
  • coarse grained
  • image sequences
  • protein sequences
  • molecular dynamics simulations
  • video sequences
  • building blocks
  • high performance computing