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Open Access Publications from the University of California

Covalent docking predicts substrates for haloalkanoate dehalogenase superfamily phosphatases

  • Author(s): Shoichet, Brian
  • Babbitt, Patricia
  • London, N
  • Farelli, JD
  • Brown, SD
  • Liu, C
  • Huang, H
  • Korczynska, M
  • Al-Obaidi, NF
  • Babbitt, PC
  • Almo, SC
  • Allen, KN
  • et al.

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© 2014 American Chemical Society.Enzyme function prediction remains an important open problem. Though structure-based modeling, such as metabolite docking, can identify substrates of some enzymes, it is ill-suited to reactions that progress through a coval

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