Computational models of protein dynamics

Atomistic description of conformational changes in proteins from pico to millisecond timescales

Molecular simulations for ligand design

Virtual screens and de-novo ligand design via free energy calculations

Ensemble-based drug design

Rational ligand design by modulation of protein dynamics

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Research in the Michel lab is focussed on quantitative description of protein-ligand interactions. This is pursued through development of biomolecular simulation software and algorithms, and biophysical measurements to characterise the structure, dynamics and thermodynamics of protein-ligand interactions. 

Currently

Molecular Simulation Software Scientist position

In collaboration with the software company Cresset (https://www.cresset-group.com/).

Latest News

New translational research grant

25 April 2018

Many thanks to InnovateUK for the award of a grant to support our translational research activities. 

Well done Michail

04 March 2018

At the recent D3R 2018 Workshop (https://drugdesigndata.org/) PhD student Michail Papadourakis presented blinded predictions of host-guest binding energies submitted to the SAMPL6. The results were among the top-ranked in terms...

Congratulations to Stefano

04 February 2018

Congratulations to Stefano Bosisio for a publishing in Chemical Science with the O'Hagan group at St Andrews a computational and experimental study on the drug-like properties of  ‘Janus face’ all-cis tetrafluorocyclohexyl...

New group member

12 January 2018

Welcome to new postdoctoral-associate Salomé Llabrés. Salomé previously completed a postdoc with Ulrich Zachariae at the University of Dundee.

Latest Tweets

Julien Michel
RT @chryswoods: Arriving in Birmingham for a meeting on visualisation in HPC. Will be presenting the work we’ve done with @BioSimSpace runn…
Julien Michel
RT @cressetgroup: With just 1 month to go until our UGM don't forget to register to secure your place at the scientific program and hands-o…
Julien Michel
RT @jchodera: Jordi Juarez-Jimenez (Edinburgh) follows @ppxasjsm to flesh out the CypA story with key mutation data! #drugmsm https://t.co/…
Follow Julien Michel on Twitter

Our research is supported by:

funder-dpst
funder-epsrc
funder-erc
funder-evotec
funder-mariecurieactions
funder-newton
funder-nvidia
funder-royalsociety
funder-ucb
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Meet our group members

East Chem