Thermal response of main protease of SARS and COVID-19 via a coarse-grained approach

Large-scale Monte Carlo simulations are performed to investigate local and global thermodynamic properties of the main protease in SARS (MP1) and COVID-19 (MP2) coronaviruses using a bond-fluctuating coarse-grained protein model for a range of temperatures. Each of the proteins MP1 and MP2 consists...

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Bibliographic Details
Main Authors: Panisak Boonamnaj, Pornthep Sompornpisut, R. B. Pandey
Format: Article
Language:English
Published: AIP Publishing LLC 2022-10-01
Series:AIP Advances
Online Access:http://dx.doi.org/10.1063/5.0109357