Bimolecular Diels - Alder Reaction Computational Design of an Enzyme Catalyst for a Stereoselective
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Computational design of an enzyme catalyst for a stereoselective bimolecular Diels-Alder reaction.
The Diels-Alder reaction is a cornerstone in organic synthesis, forming two carbon-carbon bonds and up to four new stereogenic centers in one step. No naturally occurring enzymes have been shown to catalyze bimolecular Diels-Alder reactions. We describe the de novo computational design and experimental characterization of enzymes catalyzing a bimolecular Diels-Alder reaction with high stereosel...
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