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Development of SAAP3D force field and the application to replica-exchange Monte Carlo simulation for chignolin and C-peptide.

Michio IwaokaToshiki SuzukiYuya ShojiKenichi DedachiTaku ShimosatoToshiya MinezakiHironobu HojoHiroyuki OnukiHiroshi Hirota
Published in: J. Comput. Aided Mol. Des. (2017)
Keyphrases
  • monte carlo simulation
  • monte carlo
  • force field
  • markov chain
  • computer vision
  • machine learning
  • image segmentation
  • deformable models
  • multiscale