Machine learning differentiates enzymatic and non-enzymatic metals in proteins

The authors generate the largest structural dataset of enzymatic and non-enzymatic metalloprotein sites to date. They use this dataset to train a decision-tree ensemble machine learning algorithm that allows them to distinguish between catalytic and non-catalytic metal sites. The computational model...

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Bibliographic Details
Main Authors: Ryan Feehan, Meghan W. Franklin, Joanna S. G. Slusky
Format: Article
Language:English
Published: Nature Publishing Group 2021-06-01
Series:Nature Communications
Online Access:https://doi.org/10.1038/s41467-021-24070-3