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 ...

In the pharmaceutical discovery process, understanding a drug’s residence time—the duration a molecule remains bound to its ...

Dynamin is a protein that plays a central role in endocytosis—the process where cells internalize substances by wrapping them in cell membrane vesicles. For a vesicle to detach, the neck of the ...

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 ...

Molecular dynamics (MD) simulations offer a powerful computational approach to decipher the complex and transient nature of peptide-protein interactions. By calculating the time-dependent behaviour of ...

A major scientific advance in protein modeling developed by Microsoft Research AI for Science, has been published in Science. The study introduces BioEmu, a generative deep learning system that ...

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 ...

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 ...

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 ...