- Article
A Proline-Based Neuraminidase Inhibitor: DFT Studies on the Zwitterion Conformation, Stability and Formation
- Zhi-Wei Yang,
- Xiao-Min Wu,
- Li-Jun Zhou and
- Gang Yang
The designs of potent neuraminidase (NA) inhibitors are an efficient way to deal with the recent “2009 H1N1” influenza epidemic. In this work, density functional calculations were employed to study the conformation, stability and formation of the zwi...