International journal of pharmaceutics
Nov 25, 2025
Defining suspension stability can be extremely complex, but beyond critical during the formulation development of nano- and microsuspensions intended for long-acting injectables. As of now, the current practice is based on the trial-and-error approac...
Journal of chemical information and modeling
Nov 25, 2025
Noncovalent interactions, such as halogen bonds (XB), play a crucial role in molecular recognition and drug design, yet halogen···π contacts remain comparatively underexplored. Here, we report a proof-of-concept QM-AI approach that integrates high-le...
Pathogenic bacteria pose serious threats to public health and environmental safety. Conventional colony counting, a standard method for bacterial detection, is time-consuming and unsuitable for rapid on-site detection. In this work, a flexible ACH/Ag...
Machine learning (ML) modeling on mass spectrometry (MS)-based shotgun data facilitates feature selection and disease modeling. However, batch-specific models often struggle with limited transferability and generalizability, necessitating data integr...
Journal of chemical theory and computation
Nov 25, 2025
Identifying collective variables (CVs) that are both discriminative and interpretable remains a central challenge for enhanced sampling and mechanistic analysis of biomolecular systems. We present (), a supervised machine learning-based CV discovery...
Proceedings of the National Academy of Sciences of the United States of America
Nov 25, 2025
Protein misfolding plays a central role in diseases such as Alzheimer's disease, Parkinson's disease, type 2 diabetes, and transthyretin amyloidosis (ATTR), often driven by specific aggregation-prone segments such as A and A of amyloid-42 (A42), -Syn...
BACKGROUND: Subjective well-being has become a core indicator for measuring social progress and policy effectiveness. However, the "Easterlin Paradox" remains prevalent, and this paradox refers to the disconnect between economic growth and improvemen...
BACKGROUND: Alzheimer's disease (AD) is a progressive neurodegenerative disorder with complex underlying mechanisms. PANoptosis, a newly defined form of programmed cell death that integrates pyroptosis, apoptosis, and necroptosis, may play a crucial ...
BACKGROUND: Infection is a common complication of idiopathic nephrotic syndrome (INS), and early identification of severe infection can improve patient outcome.
BACKGROUND: DNA methylation has shown great potential in Alzheimer's disease (AD) blood diagnosis. However, the ability of long non-coding RNAs (lncRNAs), which can be modified by DNA methylation, to serve as noninvasive biomarkers for AD diagnosis r...
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