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 ...

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.

Scientists are creating new ways to learn more about the vast sea of unknown compounds. The universe is awash in billions of possible chemicals. But even with a bevy of high-tech instruments, ...

Sajish Mathew receives funding from NIH COBRE grant (P20GM109091). The effects a drug or chemical compound have on the body depend on how its atoms are arranged in space. Some compounds have a dark ...

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 ...

A team of researchers at the Federal University of ABC (UFABC) in Brazil has developed a new chemical compound with the potential to treat Alzheimer's disease. The research involved computer ...