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Measuring the effect of early universe dark matter on the primordial values of helium-4 and deuterium

Pal et al. | Apr 29, 2026

Measuring the effect of early universe dark matter on the primordial values of helium-4 and deuterium

Recent observations by the “Extremely Metal-Poor Representatives Explored by the Subaru Survey” (EMPRESS) collaboration found normal deuterium levels but unexpectedly low helium-4, challenging current cosmological theories. This study used simulations with the PRyMordial package to test whether dark matter particles interacting with neutrinos in the early universe could explain the discrepancy.

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An in silico molecular analysis of the antifungal properties of Ageratum conyzoides

Sathish et al. | Apr 28, 2026

An <i>in silico</i> molecular analysis of the antifungal properties of <i>Ageratum conyzoides</i>
Image credit: Bánh Bao Chiên

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.

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Hybrid Quantum-Classical Generative Adversarial Network for synthesizing chemically feasible molecules

Sikdar et al. | Jan 10, 2023

Hybrid Quantum-Classical Generative Adversarial Network for synthesizing chemically feasible molecules

Current drug discovery processes can cost billions of dollars and usually take five to ten years. People have been researching and implementing various computational approaches to search for molecules and compounds from the chemical space, which can be on the order of 1060 molecules. One solution involves deep generative models, which are artificial intelligence models that learn from nonlinear data by modeling the probability distribution of chemical structures and creating similar data points from the trends it identifies. Aiming for faster runtime and greater robustness when analyzing high-dimensional data, we designed and implemented a Hybrid Quantum-Classical Generative Adversarial Network (QGAN) to synthesize molecules.

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The sweetened actualities of neural membrane proteins: A computational structural analysis

Chauhan et al. | Nov 03, 2022

The sweetened actualities of neural membrane proteins: A computational structural analysis

Here, seeking to better understand the roles of glycans in the receptors of active sites of neuronal cells, the authors used molecular dynamics simulations to to uncover the dynamic nature of N-glycans on membrane proteins. The authors suggest the study of theinteractions of these membrane poreins could provide future potential therapeutic targets to treat mental diseases.

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Strain-selective in vitro and in silico structure activity relationship (SAR) of N-acyl β-lactam broad spectrum antibiotics

Poosarla et al. | Oct 19, 2021

Strain-selective <i>in vitro</i> and <i>in silico</i> structure activity relationship (SAR) of N-acyl β-lactam broad spectrum antibiotics

In this study, the authors investigate the antibacterial efficacy of penicillin G and its analogs amoxicillin, carbenicillin, piperacillin, cloxacillin, and ampicillin, against four species of bacteria. Results showed that all six penicillin-type antibiotics inhibit Staphylococcus epidermidis, Escherichia coli, and Neisseria sicca with varying degrees of efficacy but exhibited no inhibition against Bacillus cereus. Penicillin G had the greatest broad-spectrum antibacterial activity with a high radius of inhibition against S. epidermidis, E. coli, and N. sicca.

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Geographic Distribution of Scripps National Spelling Bee Spellers Resembles Geographic Distribution of Child Population in US States upon Implementation of the RSVBee “Wildcard” Program

Kannankeril et al. | Aug 17, 2020

Geographic Distribution of Scripps National Spelling Bee Spellers Resembles Geographic Distribution of Child Population in US States upon Implementation of the RSVBee “Wildcard” Program

The Scripps National Spelling Bee (SNSB) is an iconic academic competition for United States (US) schoolchildren, held annually since 1925. However, the sizes and geographic distributions of sponsored regions are uneven. One state may send more than twice as many spellers as another state, despite similar numbers in child population. In 2018, the SNSB introduced a wildcard program known as RSVBee, which allowed students to apply to compete as a national finalist, even if they did not win their regional spelling bee. In this study, the authors tested the hypothesis that the geographic distribution of SNSB national finalists more closely matched the child population of the US after RSVBee was implemented.

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Study of PINN sensor layout in evaluating WSS with application to patient-specific carotid flow

Nie et al. | Sep 04, 2026

Study of PINN sensor layout in evaluating WSS with application to patient-specific carotid flow

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.

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