Predicting Binding Affinities for the Binding Domain of Hyperpolarization-Activated Cyclic Nucleotide-Gated Channel Isoforms Using Free-Energy Perturbation
Matthew Brownd, Stephanie M. Sauve, Hope Woods, Mahmoud Moradi
The paper uses free-energy perturbation to calculate binding affinities of cAMP to HCN isoforms 1-4 CNBDs, revealing differences in channel activation sensitivity.
bioRxiv · Mar 6, 2026 · PreprintBiophysics