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CADEE: Computer-Aided Directed Evolution of Enzymes (2016)

Amrein, B.A.Steffen-Munsberg, F.Szeler, I.Purg, M.Kulkarni, Y.Kamerlin, S.C.L.

International Union of Crystallography (IUCr)

In: IUCrJ

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Publication Date: 2016-12-09

Description: 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.

Keywords: computational directed evolutioncomputational enzyme designdistributed computingempirical valence bondtriosephosphate isomerase

Electronic ISSN: 2052-2525

Topics: Geosciences , Physics

Published by International Union of Crystallography (IUCr)

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