Journal of chemical theory and computation
Sep 17, 2025
Long-term biomolecular dynamics is critical for understanding key evolutionary transformations in molecular systems. However, capturing these processes requires extended simulation timescales that often exceed the practical limits of conventional mod...
Journal of chemical information and modeling
Sep 17, 2025
The escalating issue of antibiotic resistance has created an urgent global demand within the biomedical field for the discovery of novel antimicrobial molecules as alternatives to traditional antibiotics. Previous studies have reported the identifica...
BACKGROUND: Adaptive sampling is an emerging technology to enrich target reads while depleting unwanted reads during real-time nanopore sequencing. The application of different algorithms has spawned various tools for the determination of read reject...
Road traffic accidents are one of the leading death causes around the globe, claiming millions of lives every year. Predicting traffic accident severity is essential for road users' safety and accident prevention. Artificial neural network (ANN), Boo...
Accurate and interpretable solar power forecasting is critical for effectively integrating Photo-Voltaic (PV) systems into modern energy infrastructure. This paper introduces a novel two-stage hybrid framework that couples deep learning-based time se...
BACKGROUND: Depression is a psychological disorder characterized by altered self-referential cognition and impaired emotional expression. Traditional diagnostic methods can be costly or intrusive, while Speech-based analysis offers an accessible alte...
Biochemical and biophysical research communications
Sep 16, 2025
CircRNAs are ubiquitously expressed across diverse tissues and cells, playing a pivotal role not only in protein-mediated biological processes but also in disease prevention and therapeutics. RNA-RBP interactions are critical for deciphering gene reg...
Journal of chemical information and modeling
Sep 16, 2025
Protein-ligand binding affinity assessment plays a pivotal role in virtual drug screening, yet conventional data-driven approaches rely heavily on limited protein-ligand crystal structures. Structure-free compound-protein interaction (CPI) methods ha...
Journal of chemical information and modeling
Sep 16, 2025
Sequence-based drug-target interaction (DTI) prediction is an effective approach for identifying potential drug candidates without relying on three-dimensional protein structures. However, current sequence-based methods often suffer from limited gene...
AIM: Evaluating dental plaque is a fundamental task for periodontal health care, but it is subjective, time-consuming, and cumbersome. Therefore, this study aimed to develop and validate a web-based deep learning application capable of objectively qu...
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