Correlating enzymatic reactivity for different substrates using transferable data-driven collective variables
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DOI: 10.1073/pnas.2416621121
Abstract: Significance While data-driven collective variables (CVs) have been applied to various complex biological problems, such as ligand binding, their transferability across different substrates has not been thoroughly investigated. Here, we show that machine learning-based CVs… read more here.
Keywords: correlating enzymatic; data driven; different substrates; collective variables ... See more keywords