The interest I now have for molecular modelling sprouted during my studies at Sup’Biotech, a five-year engineering school in biotechnology located in Paris, from which I graduated as valedictorian with a major in bioinformatics. After an internship at Sanofi, focusing on predicting the druggability of different protein targets using mixed molecular solvent molecular dynamics, I further specialised in computational chemistry and obtained a Master’s degree in In Silico Drug Design at Paris-Diderot University. To get more experienced from a structural point of view, I then carried out an internship at Janssen, in Pr. dr. Herman van Vlijmen’s team and under the supervision of Dr. Christophe Meyer. The focus of the research was the extrapolation of binding poses of new compounds from the binding poses of their fragments observed in the Protein Data Bank.
I am currently doing my PhD research under the lead of Pr. dr. Bob van de Water and Dr. Gerard J. P. van Westen on the improvement of translational efficacy and safety assessment of compounds by integrating both in vitro High Content Imaging derived data and multispecies proteochemometrics modelling. This project, part of the eTRANSAFE European project (etransafe.eu), focuses the reliability of predictions of machine learning models from the perspective of translational toxicity and efficacy of new drugs.
- Janssen A.P.A., Hengst J.M.A. van, Béquignon O.J.M., Deng H., Westen G.J.P. van & Stelt M. van der (2019), Structure Kinetics Relationships and Molecular Dynamics Show Crucial Role for Heterocycle Leaving Group in Irreversible Diacylglycerol Lipase Inhibitors, Journal of Medicinal Chemistry 62(17): 7910-7922.
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