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Molecular dynamics simulation of S100B protein to explore ligand blockage of the interaction with p53 protein.

Zhigang ZhouYumin Li
Published in: J. Comput. Aided Mol. Des. (2009)
Keyphrases
  • molecular dynamics
  • molecular dynamics simulations
  • high performance computing
  • scientific data
  • protein folding
  • fluid flow
  • virtual screening
  • database
  • numerical simulations