Maturation of the SARS-CoV-2 virus is regulated by dimerization of its main protease

Maturation of the SARS-CoV-2 virus is regulated by dimerization of its main protease

SARS-CoV-2 main protease (Mpro) involved in COVID-19 is required for maturation of the virus and infection of host cells. The key question is how to block the activity of Mpro. By combining atomistic simulations with machine learning, we found that the enzyme regulates its own activity by a collecti...

Full description

Bibliographic Details
Main Authors: Shreyas Kaptan, Mykhailo Girych, Giray Enkavi, Waldemar Kulig, Vivek Sharma, Joni Vuorio, Tomasz Rog, Ilpo Vattulainen
Format: Article
Language:English
Published: Elsevier 2022-01-01
Series:Computational and Structural Biotechnology Journal
Subjects:
Biophysics
Coronavirus
Molecular dynamics simulation
Machine learning
Online Access:http://www.sciencedirect.com/science/article/pii/S2001037022002379

Internet

http://www.sciencedirect.com/science/article/pii/S2001037022002379

Similar Items