Probing protein allostery as a residue-specific concept via residue perturbation maps
H. S. Hayatshahi, E. Ahuactzin, P. Tao, S. Wang, J. Liu
The paper introduces residue perturbation maps to represent allosteric effects as residue-specific properties using machine learning on molecular dynamics simulations.
bioRxiv · Jun 25, 2018Biophysics