The team first used molecular mechanics to identify the 3D conformation where the energy of the biomolecules would be the most stable. (sciencedaily.com)
Using a Nobel Prize - winning technique called QM / MM — quantum mechanics / molecular mechanics simulations - the Bristol research team were able to gain a molecular - level insight into how enzymes called «beta - lactamases» react to antibiotics. (sciencedaily.com)
He developed a rule - based molecular mechanics force field as a Miller Fellow at the University of California, Berkeley, and studied hydrogen / deuterium - exchange reactions in proteins as a postdoctoral fellow with Robert Baldwin at Stanford University School of Medicine. (ascb.org)