The ability to detect, visualize, and quantify biologically significant molecules with high sensitivity and selectivity is fundamental to advancing our ...

RFdiffusion2, RFdiffusion3, and Riff-Diff each solve different structural problems in computational enzyme design ...

Scientists have made a major step towards building the world’s first practical nuclear clock.In a study published today in Nature, the team demonstrate a completely new way of probing the tiny ...

A new start-up called PsiThera has spun out of Roivant Sciences with $47 million and a computational drug discovery platform ...

Chemists at the U.S. Department of Energy's (DOE) Brookhaven National Laboratory have designed a new way to convert abundant carbon dioxide (CO 2) into formate (HCO 2 ...

For decades, Arieh Warshel, USC Distinguished Professor of Chemistry and a 2013 Nobel laureate, has used computer simulations ...

A team led by Pei-Yi Wu and Sheng-Tong Sun at Donghua University reported a strong hydrogel fiber material with water-induced ...

Hitchcock and Pande will advise on the continued development and scaling of insitro's AI-driven ChemML™ platform as it is deployed across insitro's pipeline and partner programs. Their guidance will ...

Using a smart computational search, scientists discovered a catalyst ingredient that finally makes tough alkyl ketones behave the way chemists want. The reaction now runs cleanly and reliably, opening ...

Parasitic diseases continue to impose a substantial public health and socioeconomic burden, particularly in low- and middle-income regions across Latin ...

Abstract: The National Renewable Energy Laboratory’s (NREL’s) computational sciences center hosts the largest high-performance computing (HPC) capabilities dedicated to energy research while ...

Champaign have developed a new theoretical framework that could dramatically reduce the cost and complexity of predicting chemical reaction energetics without sacrificing accuracy. Led by chemical and ...