This study developed machine learning models to predict Aβ positivity in Alzheimer's disease by integrating early-phase F-Florbetaben PET and clinical data to improve diagnostic accuracy. Furthermore, the study explored machine learning models to pre...
Amyloid aggregates are pathological hallmarks of many human diseases, but how soluble proteins nucleate to form amyloids is poorly understood. Here, we use combinatorial mutagenesis, a kinetic selection assay, and machine learning to massively pertur...
Mitophagy, the selective autophagic elimination of mitochondria, is essential for maintaining mitochondrial quality and cell homeostasis. Impairment of mitophagy flux, a process involving multiple sequential intermediates, is implicated in the onset ...
Alzheimer's disease (AD) is characterized by deposition of amyloid-β (Aβ) and neurofibrillary tangles (NFTs) formed by aggregates of hyperphosphorylated tau proteins. It presents a formidable global health challenge, prompting the exploration of inno...
Journal of chemical information and modeling
May 29, 2025
The self-aggregation of amyloid-β (Aβ) into fibrils is a hallmark of Alzheimer's disease (AD). Inhibition of Aβ aggregation with small molecule compounds represents a promising therapeutic strategy for AD. However, designing effective ligands is chal...
BackgroundNeuroinflammation actively contributes to the pathophysiology of Alzheimer's disease (AD); however, the value of neuroinflammatory biomarkers for disease-staging or predicting disease progression remains unclear.ObjectiveTo investigate diag...
Optical spectroscopy, a noninvasive molecular sensing technique, offers valuable insights into material characterization, molecule identification, and biosample analysis. Despite the informativeness of high-dimensional optical spectra, their interpre...
Amyloid- positron emission tomography can reflect the Amyloid- protein deposition in the brain and thus serves as one of the golden standards for Alzheimer's disease (AD) diagnosis. However, its practical cost and high radioactivity hinder its applic...
Physics-informed machine learning bridges the gap between the high fidelity of mechanistic models and the adaptive insights of artificial intelligence. In chemical reaction network modeling, this synergy proves valuable, addressing the high computati...
Journal of chemical information and modeling
Feb 21, 2025
Proteins are inherently dynamic, and their conformational ensembles play a crucial role in biological function. Large-scale motions may govern the protein structure-function relationship, and numerous transient but stable conformations of intrinsical...
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