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Molecular dynamics-based descriptors of 3-O-Sulfated Heparan sulfate as contributors of protein binding specificity.

Annemarie DanielssonMalgorzata M. KogutMartyna Maszota-ZieleniakPradeep ChopraGeert-Jan BoonsSergey A. Samsonov
Published in: Comput. Biol. Chem. (2022)
Keyphrases
  • molecular dynamics
  • molecular dynamics simulations
  • high performance computing
  • protein folding
  • scientific data
  • database systems
  • data processing