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Modeling peptide-protein complexes: docking, simulations, and machine learning
2022
QRB Discovery
Peptides mediate up to 40% of protein interactions, their high specificity and ability to bind in places where small molecules cannot make them potential drug candidates. However, predicting peptide-protein complexes remains more challenging than protein-protein or protein-small molecule interactions, in part due to the high flexibility peptides have. In this review, we look at the advances in docking, molecular simulations and machine learning to tackle problems related to peptides such as
doi:10.1017/qrd.2022.14
pmid:37529282
pmcid:PMC10392694
fatcat:mvekc2tug5dfpevxm7euqtgluu