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 have identified a previously unknown natural compound produced by heat-loving cyanobacteria that helps protect against ultraviolet radiation.

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 ...

Antibiotic resistance is turning routine infections into life threatening events, and the traditional pipeline for new drugs ...

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 ...

MIT scientists have achieved the first-ever lab synthesis of verticillin A, a complex fungal compound discovered in 1970. Its delicate structure stalled chemists for decades, despite differing from ...