To guide structural modification of anti-influenza agents and the design of novel inhibitors, we applied COMBINE analysis (developed in our Lab) to a large set of neuraminidase-inhibitor complexes and obtained predictive and robust QSAR models. They highlight 12 protein residues and 1 bound water molecule as particularly important for inhibitory activity.

Wang, T. & Wade, R.C. J. Med. Chem. (2001),44, 961-671.