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Molecular mechanism of binding between a therapeutic RNA aptamer and its protein target VEGF: A molecular dynamics study.

Mahroof KalathingalYoung Min Rhee
Published in: J. Comput. Chem. (2023)
Keyphrases
  • molecular dynamics
  • molecular dynamics simulations
  • high performance computing
  • protein folding
  • scientific data
  • image sequences
  • active learning
  • numerical simulations
  • genome wide
  • sequence analysis
  • fluid flow