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Dr. Gert Kiss, Dr. Nihan Çelebi-Ölçüm, Dr. Rocco Moretti, Prof. Dr. David Baker and Prof. Dr. Dr. K. N. Houk Computational Enzyme Design Angewandte Chemie International Edition 52

Article first published online: 25 MAR 2013 | DOI: 10.1002/anie.201204077

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The “inside-out” approach to computer-based enzyme design unites the newest developments in the areas of computational chemistry and biology. This has enabled the design of proteins that catalyze reactions not accelerated in nature. The achievements and limitations of the current technology are highlighted and compared to other methods.

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