N-terminus of the third PDZ Domain of PSD-95 Orchestrates Allosteric Communication for Selective Ligand Binding
T. F. Guclu, N. Kocatug, A. R. Atilgan, C. ATILGAN
This study investigates how mutations in the N-terminus of PDZ3 affect ligand binding selectivity through molecular dynamics simulations and free energy calculations.
bioRxiv · Aug 24, 2020Biophysics