Computer modeling of protein : substrate interaction The protein : substrate interaction is studied in the inhibition of the HIV reverse transcriptase (RT) by non-nucleoside compounds. In this regard, the production of new inhibitors is currently under way in the lab of pharmaceutical chemistry of the University of Genova, where a promising lead compound has been synthesized (EC50 ~ 2 nM). The design of new variants of the inhibitor is carried out by computer simulations based on the known crystal structure of RT in complex with several inhibitory compound. The modeling of protein : protein complexes has also been carried out for two proteins (HPR and IIANtr) that exchange phosphoryl group in the bacterial PTS system.