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AMOEBA binding free energies for the SAMPL7 TrimerTrip host-guest challenge.

Yuanjun ShiMarie L. LauryZhi WangJay W. Ponder
Published in: J. Comput. Aided Mol. Des. (2021)
Keyphrases
  • virtual machine
  • higher order
  • graph cuts
  • social networks
  • energy minimization
  • multiscale
  • evolutionary algorithm
  • post processing
  • energy function
  • median filtering