Animation of virtual screening (docking) against H5N1 avian influenza neuraminidase

Docking of compounds exploring the binding sites of H5N1 avian influenza neuraminidase. The 430-loop is on the top right, the 150-loop is on the top left, and the original oseltamivir site is at the bottom middle. The last structure shows hydrogen bonds between ligand and protein.




ML code on Github

WaterScore online calculator

DrugLogit online calculator