Unveiling Mutation Effects on the Structural Dynamics of the Main Protease from SARS-CoV-2 with Hybrid Simulation Methods
E. A. Philot, P. Gasparini, J. C. de Mattos, A. Magro, E. Torres-Bonfim, R. C. N. Quiroz, A. Klioussof, D. Perahia, A. L. B. Scott
This study uses hybrid simulation methods to analyze how mutations affect the structural dynamics of SARS-CoV-2 Mpro, identifying changes in stability and function across variants.
bioRxiv · Jul 17, 2021Biophysics