machine learning – Networks, Computation, and Social Dynamics

Probing Protein Adaptations in Extreme Environments

Extremophiles are organisms that thrive, or at least tolerate, extreme environmental conditions, such as the high temps and pressures found near under-water hydrothermal vents, or the freezing temperatures of permafrost soils. To survive these uncomfortable climates, organisms have had to undergo adaptations, specifically molecular adaptations that change the behavior between their biomacromolecules to reflect the […]

Novel Use Of Neural Nets To Convert PSNs To 3D Atomistic Structures

February 20, 2022 / alumni, articles, machine learning, molecular biophysics

A recent collaboration between Dr. Vy Duong, Dr. Gianmarc Grazioli, and current NCASD member Liz Diessner, published in Biomolecules, illustrates the utility of Neural Networks for retrieving atomistic detail from Protein Structure Networks (PSNs) to reconstruct 3D molecular models. The ability to convert between coarse-grained PSNs and their detailed atomistic structure analogs allows researchers

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