Journal of chemical information and modeling
Mar 9, 2026
Molecular simulation tools, such as GROMACS, are used routinely to produce time series of energies and other observables. To turn these data into publication-quality figures, a user can either use a (commercial) software package with a graphical user... read more
AIMS: Despite the proven efficacy of GLP-1 receptor agonists (GLP-1 RAs), many patients with type 2 diabetes (T2DM) are not able to achieve glycaemic targets with these agents and they require additional therapies. Timely identification of individual... read more
Cardiovascular disease (CVD) remains the leading cause of death among women globally, with significant mortality and poorer outcomes compared with men. Traditional CVD risk assessment methods are less effective for women in part due to a lack of cons... read more
BACKGROUND AND AIMS: Women are underdiagnosed and undertreated for cardiovascular disease (CVD). Automatic quantification of breast arterial calcification (BAC) on screening mammography can identify women at risk for CVD. This study aimed to determin... read more
OBJECTIVES: This scoping review aims to assess the role of machine learning in workplace mental health research by systematically analyzing existing studies to understand current methodologies, applications, and trends. METHODS: We conducted a compre... read more
Upconversion detection of infrared radiation by cost-effective silicon photodetectors in visible bands has spurred a revolution in infrared imaging technology, unlocking a wide range of applications in biological imaging, optical spectroscopy, and op... read more
This work aimed at the use and understanding the impact of education in solving the growing environmental pollution and radiation exposure, which are both attributed to natural phenomena and human activities. It's a case study of two different univer... read more
Biological brains mitigate interference by orthogonalizing neural representations of similar memories, thereby preserving stability across tasks in continual learning. However, most existing continual learning approaches for spiking neural networks (... read more
Volumetric-modulated arc therapy (VMAT) planning for locally advanced non-small cell lung cancer (NSCLC) is an iterative and planner-dependent process that often requires multiple optimization cycles to balance target coverage and organ‑at‑risk (OAR)... read more
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