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Author

Xiaowei Xu

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Sep 2026

Predicting the Post-translational Modification Effects on Protein−Ligand Interactions via End-Point Binding Free Energy Calculation: Database Creation and Strategy Optimization

The experimentally validated PTM-mediated Ligand Activity Change (PLAC) dataset is curate and finds that the interaction-affecting PTMs usually occur spatially closer to ligands than the interaction-neutral ones.

Zi-Hao Wang, Xiao-Wei Xu, Zhe Wang et al. · 0 citations
Open access Aug 2026

A Metabolomics-Based Strategy for Identifying Endogenous Inhibitors of IAPP Aggregation

The identification of HPA as a potential endogenous inhibitor of IAPP aggregation provides new chemical insight into the relationship between metabolic dysregulation and amyloidogenesis and highlights endogenous metabolites as a valuable source of potential therapeutic lead compounds.

Dandan Xia, L. Gu, Lei Yang et al. · 0 citations

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