An international team of scientists has unveiled the most comprehensive model yet that explains how cells control the flow of ...
The open-source AI model improves transparency in predicting how proteins interact with other molecules, which could speed up drug discovery.
Crystal structure prediction (CSP) of organic molecules is a critical task, especially in pharmaceuticals and materials ...
Physicists at MIT have developed a new way to probe inside an atom's nucleus, using the atom's own electrons as "messengers" ...
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 ...
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China supercomputer breakthrough models complex quantum chemistry at molecular scale — 37 million processor cores fuse AI and quantum science
Chinese researchers used the Oceanlite supercomputer and a custom NNQS model to simulate molecular systems with 120 spin ...
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 hyperfine structure of radium monofluoride has been measured by researchers in the US and elsewhere with such precision ...
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