Computational design of protein inhibitors of Spanish and avian flu hemagglutinin

Fleishman, S. J., Whitehead T. A., et al. Science 332, 816-821. (2011)

We developed a new computational method for designing protein interactions
and applied it to the design of anti-flu hemagglutinin inhibitors. The
proteins were designed using computational resources generously provided by
Rosetta @ Home participants and inhibited the function of the hemagglutinin
flu coat protein that is crucial for viral infectivity. An experimentally
determined molecular structure of the designed protein interacting with
Spanish flu hemagglutinin (Figure) shows unprecedented level of agreement
between model and experiment for a designed interface.