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Deciphering ACE2-RBD binding affinity through peptide scanning: A molecular dynamics simulation approach.

Jiahu TangRuibin HuYiyi LiuJingchao LiuGuanghui WangJiahui LvLi ChengTingzhen HeYing LiuPan-Lin ShaoBo Zhang
Published in: Comput. Biol. Medicine (2024)
Keyphrases
  • molecular dynamics
  • molecular dynamics simulations
  • high performance computing
  • scientific data
  • protein folding
  • pairwise
  • fluid flow
  • motion estimation
  • database systems
  • state space
  • amino acids