Dr. Alberto Del Rio

Responsible of a Start-Up research unit supported by the Italian Association for Cancer Research.

Responsible of a Start-Up unit supported by the Italian Association for Cancer Research.

During my post-doc position in Prof. Giulio Rastelli's lab I worked on the computer-aided drug design of irreversible inhibitors of protein kinases using molecular dynamics simulation and MM-PBSA free energy estimation with AMBER software.

After my post-doctoral position in Erlangen I spent a short period at Molecular Networks GmbH (still in Erlangen) working on reaction mechanisms describing the stability of organic compound libraries.

Thanks to an Alexander von Humboldt fellowships I joined the TORVS research team headed by Prof. Dr. Johann Gasteiger at the Computer-Chemie-Centrum, University of Erlangen-Nürnberg, Germany. During my post doc I extended my PhD work of exploration of enantioselective recognition mechanisms by using a number of chemoinformatic tools and approaches.

Conducted training on Schrödinger package, in particular MacroModel, MINTA and Maestro. Molecular modeling calculations for the exploration of the enantioselective recognition mechanisms in chiral HPLC columns.

Dynamic stereochemistry and chirality laboratory headed by Prof. Christian Roussel, University of Aix-Marseille III, France. Ph.D. Thesis: Chiral recognition mechanisms in high performance liquid chromatography: Theoretical and chemoinformatic studies.

Laboratory of solid state chemistry and inorganic molecular chemistry, Prof. Abdou Boucekkine, University of Rennes I, France. Master thesis: Determination and interaction analysis of the barrier of internal rotation in toluenes and its o-halogeno derivatives. Theoretical studies.

Laboratory of Prof. Augusto Rastelli. Studies on the conformations, barriers of rotation and torsion frequencies on the methyl group were carried out.