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Molecular Insight into the Interaction between Camptothecin and Acyclic Cucurbit[4]urils as Efficient Nanocontainers in Comparison with Cucurbit[7]uril: Molecular Docking and Molecular Dynamics Simulation.

Nasim AhmadianFaramarz MehrnejadMehriar Amininasab
Published in: J. Chem. Inf. Model. (2020)
Keyphrases
  • molecular dynamics
  • molecular dynamics simulations
  • high performance computing
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  • protein folding
  • fluid flow
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  • peer to peer