Journal of computer-aided molecular design
Oct 28, 2025
Drug repositioning (DR) is a highly promising research strategy aimed at discovering new therapeutic indications for existing drugs. Current computational DR methods have become effective tools for uncovering drug-disease associations, yet they suffe...
We developed GlyTrait, a Python-based framework designed to enhance Glycomics analysis through the innovative calculation and interpretation of derived traits from -glycome data. Glycomics research often grapples with the interpretability and biologi...
Recent advances in single-cell multi-omics technologies have revolutionized cellular analysis, enabling comprehensive exploration of cellular heterogeneity, developmental trajectories, and disease mechanisms at unprecedented resolution. Foundation mo...
BACKGROUND: Osteoarthritis (OA) is a common degenerative disorder characterized primarily by articular cartilage degradation and chronic inflammation. Although direct evidence elucidating the specific mechanisms underlying the coagulation-immune axis...
Hepatitis B virus-related acute-on-chronic liver failure (ACHBLF) is a severe condition associated with short-term mortality without liver transplantation. Substantial evidence indicates that necroptosis and immune infiltration play critical roles in...
Respiratory organoids have emerged as a powerful in vitro model for studying respiratory diseases and drug discovery. However, the high-throughput analysis of organoid images remains a challenge due to the lack of automated and accurate segmentation ...
Journal of computer-aided molecular design
Oct 24, 2025
Ulcerative colitis (UC) is a chronic inflammatory bowel disease with a complex pathogenesis and limited treatment options. Recently, necroptosis has been found to play a significant role in UC. This study aimed to investigate necroptosis-related mech...
Adverse drug events represent a key challenge in public health, especially concerning drug safety profiling and drug surveillance. Drug-drug interactions represent one of the most popular types of adverse drug events. Most computational approaches to...
Understanding the interplay between diseases and genes is crucial for gaining deeper insights into disease mechanisms and optimizing therapeutic strategies. In recent years, various computational methods have been developed to uncover potential disea...
Interactions between cells coordinate various functions across cell-types in health and disease states. Novel single-cell techniques enable deep investigation of cellular crosstalk at single-cell resolution. Cell-cell communication (CCC) is mediated ...
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