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• Long‐time scale simulations of virus‐like particles from three human‐norovirus strains

  Publikacja

  • A. Lipska
  • A. Sieradzan
  • C. Czaplewski
  • A. D. Lipińska
  • K. Ocetkiewicz
  • J. Proficz
  • P. Czarnul
  • H. Krawczyk
  • J. Liwo

  - JOURNAL OF COMPUTATIONAL CHEMISTRY - Rok 2023

  The dynamics of the virus like particles (VLPs) corresponding to the GII.4 Houston, GII.2 SMV, and GI.1 Norwalk strains of human noroviruses (HuNoV) that cause gastroenteritis was investigated by means of long-time (about 30 μs in the laboratory timescale) molecular dynamics simulations with the coarse-grained UNRES force field. The main motion of VLP units turned out to be the bending at the junction between the P1 subdomain (that...

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