Computational remodeling of an enzyme conformational landscape for altered substrate selectivity
A. D. St-Jacques, J. M. Rodriguez, M. G. Eason, S. M. Foster, S. T. Khan, A. M. Damry, N. K. Goto, M. C. Thompson, R. A. Chica
This study computationally redesigns an enzyme's conformational landscape to enhance catalytic efficiency with a non-native substrate, achieving up to 1900-fold selectivity switch.
bioRxiv · Sep 16, 2022Biophysics