Aug 2026
Thermodynamic Evaluation of Optimized Heparin–DNA Origami Nanostructures Targeting the SARS-CoV-2 Spike RBD Using MM/PBSA–IE
An equilibrium MD-based analysis of U-shaped DNA origami nanocages functionalized with heparin oligosaccharides of different lengths provides a relative computational ranking of the three modeled tethered-heparin systems under the selected binding configurations.
Sadegh Dastorani, Mahmoud Shariati, R. Ghasemi
· Journal of Computational Bio... · 0 citations