COVID gets quantum treatment for drug discovery

(University of Texas at Austin, Texas Advanced Computing Center) Oak Ridge National Laboratory researchers are using TACC's Stampede2 to help refine screening of potential drug molecules against COVID-19.Stephan Irle and Van Quan Vuong of ORNL developed the quantum mechanics-based ranking refinement and binding analysis run on Stampede2 that narrowed from 3,000 to 100 of the most promising drug compounds for further study.
Source: EurekAlert! - Infectious and Emerging Diseases - Category: Infectious Diseases Source Type: news