9. They can help discover new drugs
Most drugs used to treat human diseases take effect by binding to biological molecules called proteins in the body. A drug that fits snugly into ‘pockets’ on a protein’s three-dimensional structure is deemed desirable. To design such a drug, however, the target protein’s structure must first be known or predicted, and mapping the shape of a protein is a highly complex task. This is where computational modeling of protein structure becomes immensely helpful.
By performing extensive calculations on energy states and motion, D.E. Shaw Research’s Anton supercomputer was able to accurately predict the three-dimensional shape and behavior of a protein. This opens the possibility for scientists to design better and more effective drugs with fewer side effects.