Optimization of parallel implementation of UNRES package for coarse-grained simulations to treat large proteins

Adam K. Sieradzan, Jordi Sans-Duñó, Emilia A. Lubecka, Cezary Czaplewski, Agnieszka G. Lipska, Henryk Leszczynski, Krzysztof M. Ocetkiewicz, Jerzy Proficz, Pawel Czarnul, Henryk Krawczyk, Adam Liwo. Optimization of parallel implementation of UNRES package for coarse-grained simulations to treat large proteins. Journal of Computational Chemistry, 44(4):602-625, February 2023. [doi]

@article{SieradzanSLCLLOPCKL23,
  title = {Optimization of parallel implementation of UNRES package for coarse-grained simulations to treat large proteins},
  author = {Adam K. Sieradzan and Jordi Sans-Duñó and Emilia A. Lubecka and Cezary Czaplewski and Agnieszka G. Lipska and Henryk Leszczynski and Krzysztof M. Ocetkiewicz and Jerzy Proficz and Pawel Czarnul and Henryk Krawczyk and Adam Liwo},
  year = {2023},
  month = {February},
  doi = {10.1002/jcc.27026},
  url = {https://doi.org/10.1002/jcc.27026},
  researchr = {https://researchr.org/publication/SieradzanSLCLLOPCKL23},
  cites = {0},
  citedby = {0},
  journal = {Journal of Computational Chemistry},
  volume = {44},
  number = {4},
  pages = {602-625},
}