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Lessons learned from comparing molecular dynamics engines on the SAMPL5 dataset (vol 31, pg 147, 2017)

  • Author(s): Shirts, MR
  • Klein, C
  • Swails, JM
  • Yin, J
  • Gilson, MK
  • Mobley, DL
  • Case, DA
  • Zhong, ED
  • et al.
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