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Article

Hom-Complex-Based Machine Learning (HCML) for the Prediction of Protein-Protein Binding Affinity Changes upon Mutation.

Journal of chemical information and modeling - 12 Sept 2022

Liu Xiang, Feng Huitao, Wu Jie, Xia Kelin

Abstract excerpt

Protein-protein interactions (PPIs) are involved in almost all biological processes in the cell. Understanding protein-protein interactions holds the key for the understanding of biological functions, diseases and the development of therapeutics. Recently, artificial intelligence (AI) models have demonstrated great power in PPIs. However, a key issue for all AI-based PPI models is efficient molecular...

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PMID: 36040839
DOI: 10.1021/acs.jcim.2c00580

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