Intramolecular Communication and Allosteric Sites in Enzymes Unraveled by Time-Dependent Linear Response Theory
Bang-Chieh Huang, Yi-Yun Cheng, Chi-Hong Chang Chien, Chao‐Ling Yao, Lee‐Wei Yang
This study uses time-dependent linear response theory to identify allosteric sites in enzymes, finding that mutations at these sites significantly affect enzyme activity and that certain drugs inhibit these sites with therapeutic effects.
bioRxiv · Apr 20, 2024 · PreprintBiophysics