Discover the Science Behind Today’s Breakthrough Medicines

Pioneering models reveal how enzymes work—and help researchers design smarter medicines

Arieh Warshel is best known for co-developing computational methods that bridge quantum mechanics and classical molecular mechanics, especially the hybrid QM/MM approach used to simulate complex biochemical reactions. His work helped make it possible to model enzyme function at the atomic level in systems too large for purely quantum calculations. These multiscale methods transformed computational chemistry and biochemistry and are now widely used in studies of enzymes, molecular biology, and drug design.