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Contact-based molecular dynamics of structured and disordered proteins in a coarse-grained model: Fixed contacts, switchable contacts and those described by pseudo-improper-dihedral angles.

Lukasz MioduszewskiJakub BednarzMateusz ChwastykMarek Cieplak
Published in: Comput. Phys. Commun. (2023)
Keyphrases
  • fine grained
  • coarse grained
  • probabilistic model
  • molecular dynamics
  • databases
  • machine learning
  • high level
  • natural language processing
  • high throughput
  • protein folding