Computational introduction of catalytic activity into proteins

Steve J. Bertolani, Dylan Alexander Carlin, Justin B. Siegel

Research output: Chapter in Book/Report/Conference proceedingChapter


Recently, there have been several successful cases of introducing catalytic activity into proteins. One method that has been used successfully to achieve this is the theozyme placement and enzyme design algorithms implemented in Rosetta Molecular Modeling Suite. Here, we illustrate how to use this software to recapitulate the placement of catalytic residues and ligand into a protein using a theozyme, protein scaffold, and catalytic constraints as input.

Original languageEnglish (US)
Title of host publicationMethods in Molecular Biology
PublisherHumana Press Inc.
Number of pages19
StatePublished - May 1 2016

Publication series

NameMethods in Molecular Biology
ISSN (Print)10643745


  • De novo enzyme design
  • Enzyme design
  • Rosetta
  • Theozyme

ASJC Scopus subject areas

  • Molecular Biology
  • Genetics


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