IUCrJ (Jan 2017)

CADEE: Computer-Aided Directed Evolution of Enzymes

  • Beat Anton Amrein,
  • Fabian Steffen-Munsberg,
  • Ireneusz Szeler,
  • Miha Purg,
  • Yashraj Kulkarni,
  • Shina Caroline Lynn Kamerlin

DOI
https://doi.org/10.1107/S2052252516018017
Journal volume & issue
Vol. 4, no. 1
pp. 50 – 64

Abstract

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The tremendous interest in enzymes as biocatalysts has led to extensive work in enzyme engineering, as well as associated methodology development. Here, a new framework for computer-aided directed evolution of enzymes (CADEE) is presented which allows a drastic reduction in the time necessary to prepare and analyze in silico semi-automated directed evolution of enzymes. A pedagogical example of the application of CADEE to a real biological system is also presented in order to illustrate the CADEE workflow.

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