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UNRES-Dock-protein-protein and peptide-protein docking by coarse-grained replica-exchange MD simulations.

Pawel KrupaAgnieszka S KarczyńskaMagdalena A MozolewskaAdam LiwoCezary Czaplewski
Published in: Bioinformatics (Oxford, England) (2021)
Supplementary data are available at Bioinformatics online.
Keyphrases
  • molecular dynamics
  • protein protein
  • small molecule
  • electronic health record
  • social media
  • health information
  • big data
  • healthcare
  • molecular dynamics simulations