Fardine Ameli

Topics

• Quantitative Structure Enantioselective Relationship (QSER) models
• Computational Fragment-Based Drug Design
• SFC
• RPLC

Research project

This project will focus on creating Quantitative Structure Enantioselective Relationship (QSER) models to distinguish between the retentions of enantiomers and to gain insights in the recognition mechanisms on these selectors in reversed-phase liquid chromatography and supercritical fluid chromatography conditions. By means of Computational Fragment-Based Drug Design techniques, fundamental insights into the recognition process will be obtained. These insights will be used to guide the development of appropriate chiral molecular descriptors, which will be inserted in the QSER models. This will allow identifying the most important descriptors, responsible for enantiorecognition on a given chiral stationary phase. If good models are obtained, they will also allow the prediction of the best chromatographic system to enable the separation of new chiral compounds.