Further theoretical insight into the reaction mechanism of the hepatitis C NS3/NS4A serine protease

- Performing a detailed analysis of the HCV NS3/NS4A protease reaction mechanism.
- Higher level ab initio correction of the AM1/MM PES has been applied.
- Cleavage efficiency interpreted by the tetrahedral intermediate formation barrier.
- The possibility of a concerted reaction mechanism is opened (mainly for NS5A/5B).