Understanding the Directed Evolution of De Novo Retro-Aldolases from QM/MM Studies
نویسندگان
چکیده
منابع مشابه
De novo computational design of retro-aldol enzymes.
The creation of enzymes capable of catalyzing any desired chemical reaction is a grand challenge for computational protein design. Using new algorithms that rely on hashing techniques to construct active sites for multistep reactions, we designed retro-aldolases that use four different catalytic motifs to catalyze the breaking of a carbon-carbon bond in a nonnatural substrate. Of the 72 designs...
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ژورنال
عنوان ژورنال: ACS Catalysis
سال: 2020
ISSN: 2155-5435,2155-5435
DOI: 10.1021/acscatal.0c01165