MicrobiologyJournal of Molecular Graphics and ModellingPeer-reviewed
Identification of Molecular Compounds Targeting Bacterial Propionate Metabolism with Topological Machine Learning
Astrit Tola, Shan Aziz, Dannie Zhabilov…·Baris Coskunuzer
This paper uses topological machine learning to identify 15 compounds that inhibit methylcitrate dehydratase, a key enzyme in bacterial propionate metabolism, and validates their interactions through molecular docking.
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