Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
8289571 | Archives of Biochemistry and Biophysics | 2015 | 12 Pages |
Abstract
In this contribution, recent developments in the design of biocatalysts are reviewed with particular emphasis in the de novo strategy. Studies based on three different reactions, Kemp elimination, Diels-Alder and Retro-Aldolase, are used to illustrate different success achieved during the last years. Finally, a section is devoted to the particular case of designed metalloenzymes. As a general conclusion, the interplay between new and more sophisticated engineering protocols and computational methods, based on molecular dynamics simulations with Quantum Mechanics/Molecular Mechanics potentials and fully flexible models, seems to constitute the bed rock for present and future successful design strategies.
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Authors
K. Åwiderek, I. Tuñón, V. Moliner, J. Bertran,