insights into enzymatic halogenation from computational studies
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2014
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Abstract
The halogenases are a group of enzymes that have only come to the fore over the last ten years thanks to the discovery and characterization of several of novel representatives. They have re-vealed the fascinating variety of distinct chemical mechanisms that nature utilizes to activate and introduce halogens into organic substrates. Computational studies using a range of approaches have already elucidated many details of the mechanisms of these enzymes, often in synergistic combination with experiment. This Review summarizes the main insights gained from these stud-ies. It also seeks to identify open questions that are amenable to computational investigations. The studies discussed herein also serve to illustrate some of the limitations of the current computa-tional approaches and the challenges encountered in computational mechanistic enzymology.
| Reference Key |
senn2014frontiersinsights
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|---|---|
| Authors | ;Hans Martin Senn |
| Journal | spatium |
| Year | 2014 |
| DOI |
10.3389/fchem.2014.00098
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