Novel machine learning method detects animal coronaviruses that might infect humans biorxivpreprint UCIrvine MachineLearning Coronavirus AnimalCoronavirus Infection Transmission
By Neha MathurDec 15 2022Reviewed by Aimee Molineux In a recent study posted to the bioRxiv* preprint server, researchers used machine learning tools to discover animal coronaviruses , both alpha and beta CoVs, previously unknown to infect humans.
About the study In the present study, researchers developed a novel machine-learning model to predict the binding between the spike protein of alpha and beta CoVs and a human receptor, such as human dipeptidyl-peptidase 4 and angiotensin-converting enzyme 2 . Further, the researchers used a subset of 424 sequences to generate a phylogenetic tree for the S protein of alpha and beta CoVs. The team used starting receptor-binding domain structures of LYRa3 and LYRa11, generated using AlphaFold, for molecular dynamics simulations. The MD package YASARA helped simulate protein-protein interactions by substituting individual AA residues and searching for minimum-energy conformations on the final modified candidate structures.
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