The powerful software can reduce the time needed to simulate reactions with large molecules from weeks to just minutes.

Precise calculations of binding free energy are pivotal in reducing the high costs and inefficiencies of drug discovery. A recent study presents PairMap, an innovative computational tool that ...

Winners have emerged from this year’s National Drug Dosage Calculation Competition for Nurses (NDDCCN). The competition, according to organisers, is geared towards improving best practice in ...

By applying new methods of machine learning to quantum chemistry research, Heidelberg University scientists have made significant strides in computational chemistry. They have achieved a major ...