Drug Design Laboratory
News > Research projects > Docking analysis

Docking analysis

Ligand - receptor complex 

We have implemented several docking approaches that allow to screen large molecular databases on resolved or modelled proteins. In particular, we are devoloping a user-friendly interface AutoDock-based to make easier the virtual screening. The software will be designed to take full advantage of the new multicore parallel PCs and grid arrays.
Concerning the protein-protein docking, we updated the old ESCHER version to the new NG release that includes the surface calculation, the parallel thread distribution and DNA scoring.