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Multi-GPU UNRES for scalable coarse-grained simulations of very large protein systems.

Krzysztof M. OcetkiewiczCezary CzaplewskiHenryk KrawczykAgnieszka G. LipskaAdam LiwoJerzy ProficzAdam K. SieradzanPawel Czarnul
Published in: Comput. Phys. Commun. (2024)
Keyphrases
  • coarse grained
  • fine grained
  • protein sequences
  • protein structure prediction
  • contact maps
  • distributed systems
  • feature selection
  • natural language processing
  • protein folding
  • multithreading