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Adsorption and encapsulation of melittin on covalently functionalized carbon nanotubes; a molecular dynamics simulation study.

Azadeh KordzadehAhmad Ramazani S. A.Shohreh Mashayekhan
Published in: Comput. Biol. Medicine (2023)
Keyphrases
  • simulation study
  • molecular dynamics
  • carbon nanotubes
  • high performance computing
  • scientific data
  • molecular dynamics simulations
  • neural network
  • protein folding
  • monte carlo
  • fluid flow
  • building blocks