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A comparative study on the suitability of virtual labs for school chemistry experiments

Praveen et al. | Aug 22, 2022

A comparative study on the suitability of virtual labs for school chemistry experiments

Virtual labs have been gaining popularity over the last few years, especially during the worldwide lockdown due to the COVID-19 pandemic. In this study, the suitability of virtual labs for school chemistry experiments is addressed and their effectiveness is compared to traditional physical lab experiments by focusing on physical and human resources, convenience, cost, safety, and time involved as well as topic "matter".

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A new therapy against MDR bacteria by in silico virtual screening of Pseudomonas aeruginosa LpxC inhibitors

Liu et al. | Apr 27, 2022

A new therapy against MDR bacteria by <em>in silico</em> virtual screening of <em>Pseudomonas aeruginosa</em> LpxC inhibitors

Here, seeking to address the growing threat of multidrug-resistant bacteria (MDR). the authors used in silico virtual screening to target MDR Pseudomonas aeruginosa. They considered a key protein in its biosynthesis and virtually screened 20,000 candidates and 30 derivatives of brequinar. In the end, they identified a possible candidate with the highest degree of potential to inhibit the pathogen's lipid A synthesis.

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Impact of Kindles4Covid Virtual Reading Buddies Program on reading frequency and social connections

Pandey et al. | Jun 25, 2022

Impact of Kindles4Covid Virtual Reading Buddies Program on reading frequency and social connections

With the COVID-19 pandemic necessitating the transition to remote learning, disruption to daily school routine has impacted educational experiences on a global scale. As a result, it has potentially worsened reading achievement gaps typically exacerbated by long summer months. To address literacy skill retention and pandemic-induced social isolation, the non-profit organization ByKids4Kids has created a reading program, “Kindles4Covid Virtual Reading Buddies Program,” to instill a structure for youth to read together and connect with the convenience of Amazon Kindle devices. In this article, the authors determine the efficacy of their invaluable program by assessing changes in reading frequency and self-reported connectedness among program participants.

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High-throughput virtual screening of novel dihydropyrimidine monastrol analogs reveals robust structure-activity relationship to kinesin Eg5 binding thermodynamics

Shern et al. | Jan 20, 2021

High-throughput virtual screening of novel dihydropyrimidine monastrol analogs reveals robust structure-activity relationship to kinesin Eg5 binding thermodynamics

As cancer continues to take millions of lives worldwide, the need to create effective therapeutics for the disease persists. The kinesin Eg5 assembly motor protein is a promising target for cancer therapeutics as inhibition of this protein leads to cell cycle arrest. Monastrol, a small dihydropyrimidine-based molecule capable of inhibiting the kinesin Eg5 function, has attracted the attention of medicinal chemists with its potency, affinity, and specificity to the highly targeted loop5/α2/α3 allosteric binding pocket. In this work, we employed high-throughput virtual screening (HTVS) to identify potential small molecule Eg5 inhibitors from a designed set of novel dihydropyrimidine analogs structurally similar to monastrol.

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A comparative analysis of machine learning approaches for prediction of breast cancer

Nag et al. | May 11, 2021

A comparative analysis of machine learning approaches for prediction of breast cancer

Machine learning and deep learning techniques can be used to predict the early onset of breast cancer. The main objective of this analysis was to determine whether machine learning algorithms can be used to predict the onset of breast cancer with more than 90% accuracy. Based on research with supervised machine learning algorithms, Gaussian Naïve Bayes, K Nearest Algorithm, Random Forest, and Logistic Regression were considered because they offer a wide variety of classification methods and also provide high accuracy and performance. We hypothesized that all these algorithms would provide accurate results, and Random Forest and Logistic Regression would provide better accuracy and performance than Naïve Bayes and K Nearest Neighbor.

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