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Blind prediction of cyclohexane-water distribution coefficients from the SAMPL5 challenge.

Caitlin C. BannanKalistyn H. BurleyMichael ChiuMichael R. ShirtsMichael K. GilsonDavid L. Mobley
Published in: J. Comput. Aided Mol. Des. (2016)
Keyphrases
  • water distribution
  • prediction model
  • water supply
  • water flow