Supercomputers simulate new pathways for potential RNA virus treatment
Published Date: 1/5/2021
Source: phys.org
University of New Hampshire (UNH) researchers recently used Comet at the San Diego Supercomputer Center at UC San Diego and Stampede2 at the Texas Advanced Computing Center to identify new inhibitor binding/unbinding pathways in an RNA-based virus. The findings could be beneficial in understanding how these inhibitors react and potentially help develop a new generation of drugs to target viruses with high death rates, such as HIV-1, Zika, Ebola, and SARS-CoV2, the virus that causes COVID-19.