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Machine-learning prediction of protein function from the portrait of its intramolecular electric field

By Santiago Vargas and others at
LogoUC Los Angeles
We introduce a machine learning framework designed to predict enzyme functionality directly from the heterogeneous electric fields inherent to protein active sites. We apply this method to a curated dataset of Heme-Iron Oxidoreductases, spanning three enzyme classes: monooxygenases, peroxidases, and catalases. Conventional analysis, focused on simplistic, point electric fields along... Show more
June 20, 2024
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Machine-learning prediction of protein function from the portrait of its intramolecular electric field
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