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Simulations of Cheetah Roaming Demonstrate the Effect of Safety Corridors on Genetic Diversity and Human-Cheetah Conflict

Acton et al. | Apr 02, 2018

Simulations of Cheetah Roaming Demonstrate the Effect of Safety Corridors on Genetic Diversity and Human-Cheetah Conflict

Ecological corridors are geographic features designated to allow the movement of wildlife populations between habitats that have been fragmented by human landscapes. Corridors can be a pivotal aspect in wildlife conservation because they preserve a suitable habitat for isolated populations to live and intermingle. Here, two students simulate the effect of introducing a safety corridor for cheetahs, based on real tracking data on cheetahs in Namibia.

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Spectroscopic Kinetic Monitoring and Molecular Dynamics Simulations of Biocatalytic Ester Hydrolysis in Non-Aqueous Solvent

Chen et al. | Dec 20, 2020

Spectroscopic Kinetic Monitoring and Molecular Dynamics Simulations of Biocatalytic Ester Hydrolysis in Non-Aqueous Solvent

Lipases are a common class of enzymes that catalyze the breakdown of lipids. Here the authors characterize the the activity of pancreatic lipase in different organic solvents using a choloremetric assay, as well as using molecular dynamic simulations. They report that the activity of pancreatic lipase in 5% methanol is more than 25% higher than in water, despite enzyme stability being comparable in both solvents. This suggests that, for industrial applications, using pancreatic lipase in 5% methanol solution might increase yield, compared to just water.

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Examining the Accuracy of DNA Parentage Tests Using Computer Simulations and Known Pedigrees

Wang et al. | Jul 13, 2020

Examining the Accuracy of DNA Parentage Tests Using Computer Simulations and Known Pedigrees

How accurate are DNA parentage tests? In this study, the authors hypothesized that current parentage tests are reliable if the analysis involves only one or a few families of yellow perch fish Perca flavescens. Their results suggest that DNA parentage tests are reliable as long as the right methods are used, since these tests involve only one family in most cases, and that the results from parentage analyses of large populations can only be used as a reference.

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Reinforcement learning in 2-D space with varying gravitational fields

Rousseau et al. | Jun 07, 2025

Reinforcement learning in 2-D space with varying gravitational fields
Image credit: NASA

In this study the authors looked at the ability to navigate planes in space between randomly placed planets. They used machine and reinforcement learning to run simulations and found that they were able to identify optimal paths for travel. In the future these techniques may allow for safer travel in unknown spaces.

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Optical anisotropy of crystallized vanillin thin film: the science behind the art

Wang et al. | Jul 09, 2024

Optical anisotropy of crystallized vanillin thin film: the science behind the art
Image credit: The authors

Microscopic beauty is hiding in common kitchen ingredients - even vanillin flavoring can be turned into mesmerizing artwork by crystallizing the vanillin and examining it under a polarizing microscope. Wang and Pang explore this hidden beauty by determining the optimal conditions to grow crystalline vanillin films and by creating computer simulations of chemical interactions between vanillin molecules.

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Machine learning-based enzyme engineering of PETase for improved efficiency in plastic degradation

Gupta et al. | Jan 31, 2023

 Machine learning-based enzyme engineering of PETase for improved efficiency in plastic degradation
Image credit: Markus Spiske

Here, recognizing the recognizing the growing threat of non-biodegradable plastic waste, the authors investigated the ability to use a modified enzyme identified in bacteria to decompose polyethylene terephthalate (PET). They used simulations to screen and identify an optimized enzyme based on machine learning models. Ultimately, they identified a potential mutant PETases capable of decomposing PET with improved thermal stability.

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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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