Browse Articles

Physics‑Informed Neural Networks (PINNs) offer a promising way to estimate blood‑flow behavior in arteries, especially near the vessel wall where traditional methods struggle. In this study, students tested how sensor density and placement affect PINN accuracy in modeling carotid artery flow and found that accuracy improves up to a moderate sensor density and depends strongly on how close sensors are placed to the arterial wall. Applying the optimized configuration to a patient‑specific carotid model produced velocity predictions closely matching computational fluid dynamics results, highlighting PINNs’ potential for future personalized cardiovascular assessment.

The explored the potential of an epitope-based vaccine for Rocio virus using computational methods and M13 bacteriophage technology. Researchers identified 30 promising B- and T-cell epitopes and designed vaccine candidates using both phage display and E. coli expression systems.

It's time-consuming to complete the calculations that are used to study nuclear reactions and energy. To uncover which computational chemistry tools are useful for this challenge, Pan, Vaiyakarnam, Li, and McMahan investigated whether the Python-based Simulations of Chemistry Framework’s Hartree-Fock (PySCF) method is an efficient and accurate way to assess alkane molecules.

Here the authors investigated how the "forever chemical" perfluorooctanoic acid binds to bovine serum albumin (BSA) using computational software to simulate its potential impact on essential human plasma proteins. They identify a possible, high-energy binding configuration that could persistently impair protein functions, underscoring the critical need for further research into the long-term health risks of per- and poly-fluoroalkyl substances exposure.

This study explores the interaction between precocene II and trichocethecene 3-O-acetyltransferase using molecular docking simulations. Computational analysis identified several potential binding sites on the enzyme surface and predicted favorable ligand-protein interactions involving key residues. These findings provide insight into how precocene II may interact with this enzyme and demonstrate the use of computational approaches to explore potential antifungal mechanisms.

Elevated acetylcholinesterase (AChE) activity contributes to cognitive decline and neurodegenerative diseases such as Alzheimer’s, motivating the search for more effective inhibitors with better bioavailability. This study used computational methods to design novel, non-toxic AChE inhibitors.

Here, recognizing the important role of bacterial biofilms in many life-threatening chronic infections, the authors investigated the effectiveness of a combination treatment on biofilms composed of up to three different common species within the lungs of cystic fibrosis patients with computational analysis. They found that a triple cocktail therapy targeting three different signaling pathways has significant potential as both a treatment and prophylaxis.

This study's goal was to identify the Mach numbers for which electrostatic drag and heat transfer manipulation would be most applicable inside the stratosphere. The experiments were conducted using computational fluid dynamics software. The study demonstrated that, on average, higher Mach speeds resulted in a considerably higher potential decrease in density. The study highlights that further research on the surface charge method is warranted to explore higher hypersonic speeds within the stratosphere.

The authors use MoralBERT, a BERT-based machine learning model, to analyze the prevalence and evolution of moral language in art critique journals from 1960 to 2015. They draw on Moral Foundations Theory to examine changes in five virtue and five vice foundations over time. They discover slight increases in degradation and care and a decrease in purity among otherwise stable patterns. The study is a novel application of computational moral analysis in a domain not typically associated with such tools. Although the moral signals were relatively faint, the study offers insights into shifting art world discourses and models an exciting method for future inquiry.

Here, recognizing that brain aneurysms pose a severe threat, often misdiagnosed and leading to high mortality, particularly in younger individuals, the authors explored a novel computer-aided engineering approach. They used magnetic resonance angiography images and computational fluid dynamics, to improve aneurysm detection and risk assessment, aiming for more personalized treatment.