Computational Chemistry is the study of complex chemical problems using a combination of computer simulations, chemistry theory and information science. Also called cheminformatics, this field enables ...

Researchers have made significant inroads in understanding how nanoplastics and per- and polyfluoroalkyl substances (PFAS) -- commonly known as forever chemicals -- disrupt biomolecular structure and ...

Organic chemistry features a wide array of reactions for creating complex molecules, among which the Diels–Alder reaction stands out for its versatility and precision. This reaction enables the ...

Matthew Addicoat receives funding from EPSRC and the Royal Society. The universe is flooded with billions of chemicals, each a tiny pinprick of potential. And we’ve only identified 1% of them.

In drug discovery, virtual screening is a fast and cost-effective way of narrowing down vast chemical libraries to identify the most promising hits, reducing synthesis and testing requirements while ...

The fungal compound verticillin A, discovered more than 50 years ago, has long been regarded for its potential cancer-fighting capabilities. S cientists have now managed to artificially synthesize the ...