Through a novel combination of machine learning and atomic force microscopy, researchers in China have unveiled the molecular ...

"Dr. Domanski embodies the spirit of OpenFold: a deep scientific understanding of proteins coupled with professional engineering expertise and a builder's mindset," said Dr. Woody Sherman, Chair of ...

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 ...

A research team from the University of Xiamen has developed a machine learning potential specifically for Pt-water interfaces. This research harnessed machine learning molecular dynamics to uncover ...

Researchers discovered a hidden molecular “switch” that herpes viruses rely on to invade cells. By combining AI, simulations, ...

A research team at the University of Xiamen has created a machine learning potential for Pt-water interfaces. This study used molecular dynamics machine learning to uncover the complex interactions at ...

While experimental screening of polymer libraries is time-consuming and costly, purely computational approaches have so far fallen short due to limited data availability and high computational demands ...

Imagine being able to program materials to control heat like you can control a light with a dimmer switch. By simply squeezing or stretching the materials, you can make them hotter or colder.

Washington State University scientists have identified a way to interfere with a key viral protein, stopping viruses from entering cells where they ...

The Department of Chemistry and Materials Science is looking for: ...