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Discovery of potential inhibitor against human acetylcholinesterase: a molecular docking and molecular dynamics investigation.

Surya Pratap SinghDwijendra K. Gupta
Published in: Comput. Biol. Chem. (2017)
Keyphrases
  • molecular dynamics
  • molecular dynamics simulations
  • high performance computing
  • hiv protease
  • scientific data
  • protein folding
  • coarse grained
  • fluid flow
  • data mining