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TERATEC 2017 Forum
Workshop 2 - Wednesday, June 28 from 9h00 to 12h30
Health - Perspectives for Personalized Medicine in 2025

From molecular modeling to personalized medicine
Vincent ZOETE, Molecular Modeling Group – SIB Swiss Institute of Bioinformatics Computer-Aided Molecular Engineering Group – Département d’Oncologie Fondamentale – Université de Lausanne

Summary : The molecular modeling of biological macromolecules is often used to study and comprehend their structure, dynamical behavior and activity. However, this approach can also be used to predict the effect of a protein mutation, or their interaction with small organic molecules. Here, we will show how these technologies can be used to perform computer-aided protein engineering and drug design, notably in the field of cancer immunotherapy.

More recently, personalized medicine emerged as a new field of application for molecular modeling. Indeed, next generation sequencing techniques allow the rapid identification of mutations present in a patient. Their analysis can identify the pathogenic mutations, and those potentially influencing the efficacy of a treatment. However, the mutations that have not been experimentally characterized, and whose effect is therefore unknown, are still numerous. In those cases, molecular modeling can be used to potentially predict their effect on the disease, and contribute to choose the most appropriate treatment for a given patient. Examples of the application of molecular modeling in personalized medicine, taken from the ‘Molecular Tumor Board’ of the Lausanne, Geneva and Fribourg hospitals will be shown.

Biography : Vincent Zoete obtained an engineering degree in chemistry from the ENSCL (Lille, France) in 1995, and a DEA in Organic and Macromolecular chemistry, before beginning a Ph.D. in organic chemistry at the Laboratoire de Chimie Organique et Macromoléculaire of the university of Lille I. In that period, he obtained a Masters degree in Drug Design in 1996 in Lille. In 1997, he took a break to serve as a Navy Officer at the Headquarter of the French Navy in Paris, and then went on to complete his Ph.D. in 1999. He then moved to Strasbourg and started a Postdoc in Molecular Modeling in the laboratory of Martin Karplus, 2013 (Nobel Prize in Chemistry) while also working for Enanta Pharmaceuticals (Cambridge, MA, USA). In 2003 and 2004, he worked as a Postdoc both in Markus Meuwly group in Basel and Martin Karplus group in Strasbourg. After that, he joined the SIB Swiss Institute of Bioinformatics as a Responsable de Recherche in the Molecular Modeling group, headed by Prof. Olivier Michielin, and became Associate Group Leader in 2011. In 2017, he was appointed Assistant Professor (tenure track) in Molecular Modeling in the Department of Fundamental Oncology at Lausanne University and Ludwig’s Lausanne Branch.

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Find the technical workshops of the TERATEC Forum on the theme of HPC in health and download the presentations

Teratec 2016 Forum : HPC technologies and applications in the healthcare sector

Teratec 2014 Forum : HPC and Healthcare: From therapeutic research to personalized medicine

Teratec 2013 Forum : HPC in Biology and Health

For any other information regarding the workshops, please contact :

Jean-Pascal JEGU
Tel : +33 (0)9 70 65 02 10
2, rue de la Piquetterie


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