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

Agnieszka Karczynska, Cezary Czaplewski, Pawel Krupa, Magdalena A. Mozolewska, Keehyoung Joo, Jooyoung Lee, Adam Liwo. Ergodicity and model quality in template-restrained canonical and temperature/Hamiltonian replica exchange coarse-grained molecular dynamics simulations of proteins. Journal of Computational Chemistry, 38(31):2730-2746, 2017. [doi]

@article{KarczynskaCKMJL17,
  title = {Ergodicity and model quality in template-restrained canonical and temperature/Hamiltonian replica exchange coarse-grained molecular dynamics simulations of proteins},
  author = {Agnieszka Karczynska and Cezary Czaplewski and Pawel Krupa and Magdalena A. Mozolewska and Keehyoung Joo and Jooyoung Lee and Adam Liwo},
  year = {2017},
  doi = {10.1002/jcc.25070},
  url = {https://doi.org/10.1002/jcc.25070},
  researchr = {https://researchr.org/publication/KarczynskaCKMJL17},
  cites = {0},
  citedby = {0},
  journal = {Journal of Computational Chemistry},
  volume = {38},
  number = {31},
  pages = {2730-2746},
}