The open-source AI model improves transparency in predicting how proteins interact with other molecules, which could speed up drug discovery.

Chinese researchers used the Oceanlite supercomputer and a custom NNQS model to simulate molecular systems with 120 spin ...

An international team of scientists has unveiled the most comprehensive model yet that explains how cells control the flow of ...

Organic light-emitting diodes (OLEDs) have become a cornerstone in display and lighting technologies, driving the demand for efficient organic thermally activated delayed fluorescence (TADF) materials ...

Physicists at MIT have developed a new way to probe inside an atom's nucleus, using the atom's own electrons as "messengers" ...

When proteins are made in a cell, they start out as strings of amino acids, which have to be folded into the correct, three-dimensional shape so they will function properly. Misfolded proteins can ...

The model also predicts the binding mechanism (non-covalent interactions) between the drug and the target protein. The core innovation of this technology lies in its "simultaneous design" approach.

The molecule developed by scientists from the UMA and UCM is capable of controlling the rotation between parallel segments of this material and generating an efficient and durable ionic charge ...

Researchers have built a 3D human blood-brain barrier in the lab and discovered a key role of brain pericytes in cerebral ...