Crystallographic Ensembles Reveal the Structural Basis of Binding Entropy in SARS-CoV2 Macrodomain
Louella Seo, Ian Farran, Ahmed Aslam, Xinyun Li, Priyadarshini Jaishankar, Alan Ashworth, James S. Fraser, Adam R. Renslo, Stephanie A. M. Wankowicz
The paper uses crystallographic ensembles to quantify conformational entropy changes in SARS-CoV-2 Macrodomain upon ligand binding, linking structural heterogeneity to binding thermodynamics.
bioRxiv · Nov 25, 2025 · PreprintBiophysics