Year 2023

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

  Publication

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

  - JOURNAL OF COMPUTATIONAL CHEMISTRY - Year 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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Year 2020

• Long Distance Geographically Distributed InfiniBand Based Computing

  Publication

  • K. Niedzielewski
  • M. Semeniuk
  • J. Skomiał
  • J. Proficz
  • P. Sumionka
  • B. Pliszka
  • M. Michalewicz

  - Supercomputing Frontiers and Innovations - Year 2020

  Collaboration between multiple computing centres, referred as federated computing is becom- ing important pillar of High Performance Computing (HPC) and will be one of its key components in the future. To test technical possibilities of future collaboration using 100 Gb optic fiber link (Connection was 900 km in length with 9 ms RTT time) we prepared two scenarios of operation. In the first one, Interdisciplinary Centre for Mathematical...

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