Quantum computers can perform computational tasks beyond the capability of classical computers, such as simulating quantum systems in materials science and chemistry. Quantum teleportation is the transfer of quantum information across distances, relying on entangled states generated by quantum computing. We sought to mitigate the error of quantum teleportation which was simulated on IBM cloud quantum computers.

The authors use the Lanczos algorithm to computationally solve the Schrodinger equation for 2D potentials with a Python program

Non-nucleoside reverse transcriptase inhibitors (NNRTIs) are allosteric inhibitors that bind to the HIV reverse transcriptase and prevent replication. Indolyl aryl sulfones (IAS) and IAS derivatives have been found to be highly effective against mutant strains of HIV-1 reverse transcriptase. Here, we analyzed molecules designed using aryl sulfone scaffolds paired to cyclic compounds as potential NNRTIs through the computational design and docking of 100 novel NNRTI candidates. Moreover, we explored the specific combinations of functional groups and aryl sulfones that resulted in the NNRTI candidates with the strongest binding affinity while testing all compounds for carcinogenicity. We hypothesized that the combination of an IAS scaffold and pyrimidine would produce the compounds with the best binding affinity. Our hypothesis was correct as the series of molecules with an IAS scaffold and pyrimidine exhibited the best average binding affinity. Additionally, this study found 32 molecules designed in this procedure with higher or equal binding affinities to the previously successful IAS derivative 5-bromo-3-[(3,5-dimethylphenyl)sulfonyl]indole-2-carboxyamide when docked to HIV-1 reverse transcriptase.

The energy of an atom is extremely useful in nuclear physics and reaction mechanism pathway determination but is challenging to compute. This work aimed to synthesize regression models for Pople Gaussian expansions of Slater-type Orbitals (STO-nG) atomic energy vs. atomic number scatter plots to allow for easy approximation of atomic energies without using computational chemistry methods. The data indicated that of the regressions, sinusoidal regressions most aptly modeled the scatter plots.

The authors looked at the dynamics of tennis serves from professional and amateur athletes.

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.

In this study, we developed an algorithm to estimate the contact rate and the average infectious period of influenza using a Susceptible, Infected, and Recovered (SIR) epidemic model. The parameters in this model were estimated using data on infected Greek individuals collected from the National Public Health Organization. Our model labeled influenza as an epidemic with a basic reproduction value greater than one.

Pandemics involve the high transmission of a disease that impacts global and local health and economic patterns. Epidemiological models help propose pandemic control strategies based on non-pharmaceutical interventions such as social distancing, curfews, and lockdowns, reducing the economic impact of these restrictions. In this research, we utilized an epidemiological Susceptible, Exposed, Infected, Recovered, Deceased (SEIRD) model – a compartmental model for virtually simulating a pandemic day by day.

Understanding how bacteria respond to other bacteria could facilitate their ability to initiate and maintain their infectiousness. The phenomenon by which bacteria signal to each other via chemical signals is called quorum sensing, which could be targeted to deter bacterial infection in some cases if better understood. In this article, the authors study how a bacterium called V. fischeri uses quorum sensing to change bioluminescence, an easy readout that facilitates studying quorum sensing in this strain.

In this study, the authors seek to improve a machine learning algorithm used for image classification: identifying male and female images. In addition to fine-tuning the classification model, they investigate how accuracy is affected by their changes (an important task when developing and updating algorithms). To determine accuracy, a set of images is used to train the model and then a separate set of images is used for validation. They found that the validation accuracy was close to the training accuracy. This study contributes to the expanding areas of machine learning and its applications to image identification.