Discovering new potential inhibitors to SARS-CoV-2 RNA dependent RNA polymerase (RdRp) using high throughput virtual screening and molecular dynamics simulations

por Brunt, Dylan, Lakernick, Phillip M., Wu, Chun
Publicado 2022

L-shaped distribution of the relative substitution rate (c/μ) observed for SARS-COV-2's genome, inconsistent with the selectionist theory, the neutral theory and the nearly neutral...

por Wu, Chun, Paradis, Nicholas J., Lakernick, Phillip M., Hryb, Mariya
Publicado 2023

Novel inhibitors to ADP ribose phosphatase of SARS-CoV-2 identified by structure-based high throughput virtual screening and molecular dynamics simulations

por Patel, Dhrumi C., Hausman, Katherine R., Arba, Muhammad, Tran, Annie, Lakernick, Phillip M., Wu, Chun
Publicado 2022

Unraveling the binding mechanism of the active form of Remdesivir to RdRp of SARS-CoV-2 and designing new potential analogues: Insights from molecular dynamics simulations

por Arba, Muhammad, Paradis, Nicholas, Wahyudi, Setyanto T., Brunt, Dylan J., Hausman, Katherine R., Lakernick, Phillip M., Singh, Mursalin, Wu, Chun
Publicado 2022