Browse Articles

The authors investigate the ability of machine learning models to developing new drug-like molecules by learning desired chemical properties versus simply generating molecules that similar to those in the training set.

The authors compare RNA expression profiles across three human cell types following infection with MERS-CoV

Berberine is a natural quaternary alkaloid that has anti-microbial and anti-cancer effects. This compound can bind to Guanine Quadruplex (G4) DNA secondary complexes to help inhibit cancer cell proliferation. In this study, the authors investigate whether incorporating large aromatic rings helps to stabilize berberine-G4 interactions.

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.

In this study, the authors test new antimicrobials by measuring the ability of extracts from Australian-native Myrtaceae species to induce death of two bacteria S. aureus and P. aeruginosa.

Cellular senescence plays a key role in aging cells and is attributed to a number of disease and pathology. These authors find that genetic editing of both RPS6KB1 and PPARGC1A revitalizes a human skin fibroblast cell line.

In an extensive study of gene mutations, and their resulting effect on protein-protein interactions, Desai and Stork found that HTT-PRPF40B-MECP2 interactions are weakened with progression of Lopes-Maciel-Rodan syndrome.

Here, seeking to develop more efficient solar cells, the authors investigated photo-electrochemical (PEC) solar cells, specifically molybdenum diselenide (MoSe₂) based on its high resistance to corrosion. They found that the percentage efficiency of these PEC solar cells was proportional to light intensity^–0.9 and that performance was positively influenced by increasing the electrolyte volume. They suggest that studies such as these can lead to new insight into reaction-based solar cells.

Growing climate concerns have intensified research into zero-emission transportation fuels, notably hydrogen. Hydrogen is considered a clean fuel because its only major by-product is water. This project analyzes how hydrogen compares to kerosene as a commercial aircraft fuel with respect to cost, CO2 emissions, and flight range.

In this study, the authors use high-throughput virtual screening to design and evaluate a set of non-nucleoside reverse transcriptase inhibitors for binding affinity to the protein reverse transcriptase. These studies have important applications toward HIV therapies.