Binding Free Energies of Piezo1 Channel Agonists at Protein-Membrane Interface
W. Jiang, H. Zhang, Y.-C. Lin, W. Im, J. J. Lacroix, Y. Luo
This study computes binding free energies of Yoda1 and its analogs at Piezo1 channels using molecular dynamics to predict agonist/inhibitor effects and guide drug design.
bioRxiv · Jun 27, 2022Biophysics