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Anton Simulations Reveal How Alzheimer’s Fibril Growth May Accelerate

Anton Simulations Reveal How Alzheimer’s Fibril Growth May Accelerate

by Ken Chiacchia | Oct 22, 2024 | Anton, Anton 2, Research, Science Highlights

With Alzheimer’s disease, amyloid peptides combine to form fibrils, in turn forming plaques around neurons. Adobe Stock 421239213 Unexpected Way for Amyloid Peptides to Join Fibrils Explains Time Lag, then Accelerated Growth, in Fibril Formation and Disease...
Anton Simulations Explain Delay in CRISPR-Cas12a’s DNA-Cutting Function

Anton Simulations Explain Delay in CRISPR-Cas12a’s DNA-Cutting Function

by Ken Chiacchia | Jul 31, 2024 | Anton, Anton 2, Research, Science Highlights

Scientists used the second-generation DESRES Anton supercomputer hosted at PSC to show how a critical protein for furture gene therapy pauses before completing its cutting of a target DNA. Credit: Aakash Saha Understanding Unexpected Motion of Protein Will Be Crucial...
Voltage-sensing Protein Moves in Unexpected Ways in Anton Simulations

Voltage-sensing Protein Moves in Unexpected Ways in Anton Simulations

by Ken Chiacchia | Jun 3, 2024 | Anton 2, Research, Science Highlights

This image shows the complexity of simulating the functional movements of the voltage-sensitive phosphatase’s motions. Anton 2 enables scientists to reproduce the movements of the protein’s components, as well as the lipids (grey, with the headgroups colored), water...
“Invisible” Protein Movements Revealed by Anton 2 Simulations

“Invisible” Protein Movements Revealed by Anton 2 Simulations

by Ken Chiacchia | Jun 8, 2023 | Anton 2, Science Highlights

Snapshot of the β2AR–Gs system: NE(+)-bound β2AR coupled with Gs protein. Different subunits and loops are illustrated by different colors (Green – β2AR, Gray – intracellular loop 3 or ICL3, Pink – GsαAH domain, Red – GsαRas domain, Blue – Gβ, Yellow – Gγ). From Y....
Anton 2 Simulations Reveal Unexpected Role for Brain Neurotransmitter

Anton 2 Simulations Reveal Unexpected Role for Brain Neurotransmitter

by Ken Chiacchia | Mar 1, 2023 | Anton 2, Science Highlights

Comparison of where D-serine (D-Ser, teal dots) and glutamate (Glu, gray dots) stick to the GluN2AA subunit. From Remy A Yovanno Tsung Han Chou Sarah J Brantley Hiro Furukawa Albert Y Lau (2022) Excitatory and inhibitory D-serine binding to the NMDA receptor eLife...
Anton 2, Bridges-2 Simulations Explain Life-Critical Protein in the Brain

Anton 2, Bridges-2 Simulations Explain Life-Critical Protein in the Brain

by Ken Chiacchia | Jan 18, 2023 | Anton 2, Bridges-2, Science Highlights

Different numbers of kinks in the iGlu-R protein from glutamate binding to the outside of channel cause its central pore (seen from the top looking down) to open progressively, allowing different levels of ion current to pass through. From Yelshanskaya, M.V., Patel,...
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