Binding affinities in the SAMPL3 trypsin and host – guest blind tests estimated with the MM / PBSA and LIE methods

  • Mikulskis P
  • Genheden S
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Author-supplied keywords

  • binding affinity á mm
  • docking á glide
  • gbsa á mm
  • linear interaction energy á
  • pbsa á

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Authors

  • Paulius Mikulskis

  • Samuel Genheden

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