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Photo Lynn Kamerlin

Lynn Kamerlin

Professor

Photo Lynn Kamerlin

In Silico-Directed Evolution Using CADEE

Author

  • Beat Anton Amrein
  • Ashish Runthala
  • Shina Caroline Lynn Kamerlin

Summary, in English

Recent years have seen an explosion of interest in both sequence- and structure-based approaches toward in silico-directed evolution. We recently developed a novel computational toolkit, CADEE, which facilitates the computer-aided directed evolution of enzymes. Our initial work (Amrein et al., IUCrJ 4:50-64, 2017) presented a pedagogical example of the application of CADEE to triosephosphate isomerase, to illustrate the CADEE workflow. In this contribution, we describe this workflow in detail, including code input/output snippets, in order to allow users to set up and execute CADEE simulations on any system of interest.

Publishing year

2019

Language

English

Pages

381-415

Publication/Series

Methods in molecular biology (Clifton, N.J.)

Volume

1851

Document type

Journal article

Publisher

Springer

Keywords

  • Computational Biology/methods
  • Directed Molecular Evolution
  • Enzymes/chemistry
  • Protein Engineering

Status

Published

ISBN/ISSN/Other

  • ISSN: 1940-6029