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Efficient estimation of binding free energies between peptides and an MHC class II molecule using coarse-grained molecular dynamics simulations with a weighted histogram analysis method.

Ming HuangWenjun HuangFei WenRonald G. Larson
Published in: J. Comput. Chem. (2017)
Keyphrases
  • coarse grained
  • fine grained
  • histogram analysis
  • pairwise
  • high precision
  • machine learning methods
  • image segmentation
  • markov random field
  • access control
  • graph cuts
  • wordnet