CADEE: Computer-Aided Directed Evolution of Enzymes.

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Amrein BA, Steffen-Munsberg F, Szeler I, Purg M, Kulkarni Y, Kamerlin SCL

IUCrJ 4 (Pt 1) 50-64 [2017-01-01; online 2017-01-01]

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.

Affiliated researcher

PubMed 28250941

DOI 10.1107/S2052252516018017

Crossref 10.1107/S2052252516018017

pii: be5274
pmc: PMC5331465