A COMPUTATIONAL METHODOLOGY FOR DESIGNING ARTIFICIAL ENZYME VARIANTS WITH ACTIVITY ON NON-NATURAL SUBSTRATES
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United States of America Patent
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Jun 13, 2024
app pub date -
Apr 20, 2022
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May 3, 2021
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Abstract
The present invention provides a computational method for designing artificial variants which have activity towards non-natural substrates. The present invention provides a special method to process stability evaluation results and creatively combines a process of calculating free energy barrier, which can improve the accuracy of the virtual screening of enzyme variants. The computational method disclosed by this invention greatly reduce the number of variants to be constructed and tested in the wet lab. In some cases, this method achieved the effect of enzyme engineering that cannot be achieved by traditional directed enzyme evolution methods.
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