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Nontargeted Parallel Cascade Selection Molecular Dynamics Based on a Nonredundant Selection Rule for Initial Structures Enhances Conformational Sampling of Proteins.

Ryuhei HaradaVladimír SládekYasuteru Shigeta
Published in: J. Chem. Inf. Model. (2019)
Keyphrases
  • molecular dynamics
  • protein folding
  • response time
  • fine grained