Our goal is to improve student learning with our simulation of protein separation and analysis tools frequently used in chemistry, biochemistry, and proteomics research. JBioFramework (JBF) is a set ...

CGSchNet, a fast machine-learned model, simulates proteins with high accuracy, enabling drug discovery and protein engineering for cancer treatment. Operating significantly faster than traditional all ...

Dynamin is a protein that plays a central role in endocytosis—the process where cells internalize substances by wrapping them ...

UNC researchers discovered how a key step in cell signaling works by showing exactly how G proteins detach from receptors that many common medicines target. Scientists at the University of North ...

Computer simulations revealed the detailed mechanism of how the protein "dynamin" works to form small vesicles within cells.While dynamin uses GTP ...

Protein movement can be simulated three times as fast than had been thought possible up to now. Researchers from Groningen achieved the gain in speed by leaving out the calculations concerning ...

An international team led by Einstein Professor Cecilia Clementi in the Department of Physics at Freie Universität Berlin introduces a breakthrough in protein simulation. The study, published in the ...

The pandemic caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) continues to impact nearly every aspect of human life around the world. SARS-CoV-2 is a member of the beta ...

To add a little context, it's probably worth noting that this is an advance in computation methodology, not necessarily in biochemistry or in drug discovery. Many scientists - especially discovery ...

Using AI, researchers identified one tiny molecular interaction that viruses need to infect cells. Disrupting it stopped the ...