About Us

Research in the Michel group focuses on the use of molecular simulations to study molecular recognition in biological molecules and to develop novel computer-aided drug design technologies.

Targeting the von Hippel–Lindau E3 Ubiquitin Ligase Using Small Molecules To Disrupt the VHL/HIF-1a Interaction

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A Simple QM/MM Approach for Capturing Polarization Effects in Protein-Ligand Binding Free Energy Calculations

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Effects of Water Placement on Predictions of Binding Affinities for p38 MAPalpha Kinase Inhibitors

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A Remote Arene Binding Site on Prostate Specific Membrane Antigen Revealed by Antibody-Recruiting Small Molecules

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Rigorous free energy calculations in structure-based drug design

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Chemical Control Over Immune Recognition: A Class of Antibody-Recruiting Small Molecules (ARMs) that Target Prostate Cancer

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Energetics of displacing water molecules from protein binding sites: consequences for ligand optimization

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News

May 2012 - Welcome to Iva who will pursue with us a research project as part of her MSc in Drug Discovery and Translational Biology.

May 2012 - Congratulations to George for receiving a prize for best poster presentation at the 2012 NAIS workshop on State-of-the-Art Algorithms for Molecular Dynamics.

March 2012 - We thank the Royal Society for the award of a Research Grant.

March 2012 - New article in JACS, Targeting the von Hippel–Lindau E3 Ubiquitin Ligase Using Small Molecules To Disrupt the VHL/HIF-1a Interaction.

Feb 2012 - Upcoming talks: Julien has been invited to speak at the Biochemical society meeting on Intrinsically Disordered Proteins in York UK ; the CCP-BioSim/CMS 2012 meeting in Cirencester, UK ; the Frontiers in Water Biophysics 2012 meeting in Perugia, Italy.

Jan 2012 - Upcoming talks: Julien has been invited to speak at the 52nd Sanibel Symposium in St-Simons Island, USA ; the 2012 NAIS workshop on State-of-the-Art Algorithms for Molecular Dynamics in Edinburgh ; the 2012 Workshop on Free Energy Methods in Drug Design in Boston, USA.

Jan 2012 - Congratulations to recent alumna Rucha, who will pursue a PhD at the University of Cambridge.

Oct 2011 - Welcome to Anna who will pursue with us her final year Masters degree research project.

Sep 2011 - A warm welcome to new PhD students Gaetano, George and Remi.

Sep 2011 - Congratulations to Sriram who has been offered a PhD studentship at the Max Planck Institute for Heart and Lung Research.

Sep 2011 - We thank Evotec for funding our research.

July 2011 -We thank NVIDIA for supporting our research.

May 2011 - Julien is giving a talk next month at the ScotCHEM 2011 Computational Chemistry symposium.

May 2011 - Welcome to Rucha and Sriram who join the group for their Masters degree project.

May 2011 - We thank the European Commission for funding our research.

Jan 2011 - Welcome to Richard who joins the group for his BSc Honours degree final year project.

Jan 2011 - Our work on the water placement algorithm JAWS is on the cover of the most recent issue of the Journal of Chemical Theory and Computation.

Dec 2010 - The group website goes live, in anticipation of the official opening of the lab next month, many thanks to the Royal Society for making this possible.