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Water/organic liquid interface properties with amine, carboxyl, thiol, and methyl terminal groups as seen from MD simulations.

M. Ilk CaparA. CetinAlexandre V. Zakharov
Published in: J. Comput. Chem. (2023)
Keyphrases
  • artificial intelligence
  • data sets
  • user interface
  • simulation model
  • query interface
  • simulation environment
  • friendly interface
  • water flow