Amyotrophic Lateral Sclerosis (ALS), also known as “Lou Gerhig’s disease” is a debilitating and fatal condition that affects 20,000 people in the United States every year. Assistant Professor of Pharmacology May Khanna from the University of Arizona is looking for ALS treatments. This requires simulating molecular docking, which is a very computation-heavy task. She worked with Cycle Computing to use a Google Cloud cluster to power her Schrödinger Glide™ simulations. Powered by CycleCloud software, she’s able to simulate binding of a million compounds to a protein in just a few hours for less than $200.
Improving ALS research