BiochemistrybioRxiv
Identification of Small Molecule Ligand Binding Sites On and In the ARNT PAS-B Domain
X. Xu, J. Closson, L. P. Marcelino…·K. H. Gardner
The paper identifies ligand-binding sites on and within the ARNT PAS-B domain using NMR, MD simulations, and ensemble docking, revealing distinct binding modes for three small molecules.
DOI 10.1016/j.jbc.2024.107606