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Hidden Order in “Intrinsically Disordered” Proteins Drives Critical Messaging in Cell

Hidden Order in “Intrinsically Disordered” Proteins Drives Critical Messaging in Cell

by Ken Chiacchia | Jul 9, 2025 | Anton, Anton 2, Science Highlights

An ensemble of four structures between which a membrane protein rapidly switches underlies a critical system for passing messages across the cell membrane. Anton Reveals Ensemble of Four Rapidly Interchanging Structures that Suggests Purpose to the Chaos as Well as...
Anton Simulations Flag How Hepatitis Virus Enters Cell Nucleus

Anton Simulations Flag How Hepatitis Virus Enters Cell Nucleus

by Ken Chiacchia | Apr 7, 2025 | Anton, Anton 2, Science Highlights

Adobe Stock 508244320 “Tucking In” of Viral Capsid Protein Allows Passage of Giant Structure through Nuclear Pore, Allowing Virus to Take Over The hepatitis B virus causes about 800,000 deaths per year, on par with HIV and the malaria parasite. However, as it spreads,...
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....
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