Human immunodeficiency virus (HIV), which affects tens of millions of individuals worldwide, can lead to acquired immunodeficiency syndrome (AIDS). While there is currently no cure for HIV, the development of small molecule antiretroviral agents has greatly improved the prognosis of infected individuals, especially in developed countries. Here, the authors employ homology modeling and molecular docking towards the identification of novel rilpivirine analogs that retain high binding affinity to clinically relevant rilpivirine-resistant mutations of the HIV reverse transcriptase enzyme.

Engineered bacteria that degrade oil are currently being considered as a safe option for the treatment of oil spills. For this approach to be successful, the bacteria must effectively express oil-degrading genes they uptake as part of an external genoming vehicle called a "plasmid". Using a computational approach, the authors investigate plasmid-bacterium compatibility to find pairs that ensure high levels of gene expression.

Here, based on the identification of androgapholide as a potential therapeutic treatment against cancer, Alzheimer's disease, diabetes, and multiple sclerosis, due to its ability to inhibit a signaling pathway in immune system function, the authors sought ways to optimize the natural product human systems by manipulating its chemical structure. Through the semisynthesis of a natural product along with computational studies, the authors developed an understanding of the kinetic mechanisms of andrographolide and semisynthetic analogs in the context of Michael additions.

In this work, the authors investigate the accuracy with which two different population growth models can predict population growth over time. They apply the Malthusian law or Logistic law to US population from 1951 until 2019. To assess how closely the growth model fits actual population data, a least-squared curve fit was applied and revealed that the Logistic law of population growth resulted in smaller sum of squared residuals. These findings are important for ensuring optimal population growth models are implemented to data as population forecasting affects a country's economic and social structure.

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.

Here, beginning from an interest in fractals, infinitely complex shapes. The authors investigated the fractal object that results from crumpling a sheet of paper. They determined its fractal dimension using continuous Chi-squared analysis, thereby testing and validating their model against the more conventional least squares analysis.

The facial integument, or external skin tissues, were assessed on set of dinosaurs from the Allosauroidea clade to test whether dermal patterns served specific functions.

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.

This study examines the higher harmonics in an oscillating string by analyzing the sound produced by a guitar with a spectrum analyzer. The authors mathematically hypothesized that the higher harmonics in the series of the directly excited 2^nd harmonic contain the alternate frequencies of the fundamental series, the higher harmonics of the directly excited 3^rd harmonic series contain every third frequency of fundamental series, and so on. To test the hypotheses, they enforced artificial nodes to excite the 2^nd, 3^rd, and 4^th harmonics directly, and analyzed the resulting spectrum to verify the mathematical hypothesis. The data analysis corroborates both hypotheses.

The authors test the ability of aloe vera gel to purify water of four separate contaminants. Aloe reduced the levels of copper, iron, and phosphate, but not nitrate. Potential applications of this purification system are discussed.