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Ergodicity and model quality in template-restrained canonical and temperature/Hamiltonian replica exchange coarse-grained molecular dynamics simulations of proteins.

Agnieszka S. KarczynskaCezary CzaplewskiPawel KrupaMagdalena A. MozolewskaKeehyoung JooJooyoung LeeAdam Liwo
Published in: J. Comput. Chem. (2017)
Keyphrases
  • fine grained
  • coarse grained
  • high level
  • probabilistic model
  • energy function
  • fault tolerant