Masterclass “Computational Approaches and In Silico Enzyme Library Design for Applied Biocatalysis”

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The course aims to make participants familiar with the use of structural biology and computational tools for engineering the performance of enzymes that are relevant for applied biocatalysis and synthetic biology. The theoretical and practical parts are integrated in a few problem-solving modules. Participants will have the opportunity to share their research via short oral presentations, posters, and interactive lectures.

Tutors and teachers:

  • Dick Janssen, University of Groningen
  • Hein Wijma, University of Groningen
  • Andy-Mark Thunnissen, University of Groningen
  • Jiri Damborsky, Masaryk University, Brno
  • David Bednar, Masaryk University, Brno
  • Emanule Monza, Zymvol, Barcelona

(to be) invited:

  • Rene de Jong, The Netherlands


  • Protein crystallography and structure analysis
  • Homology modeling docking and molecular dynamics simulations (Yasara)
  • Computational enzyme (re)design (Rosetta)
  • Enzyme engineering supported by web tools
  • Sequence and structure based smart libraries
  • Thermostability and stereoselectivity engineering
  • Industrial examples of enzyme engineering.

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