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 @BioExcelCoE: Next in the @BioExcel #webinar series: "@BioSimSpace - filling the gaps between molecular #simulation codes" on June 27th…
Julien Michel
RT @NumFOCUS: Before reproducibility must come preproducibility https://t.co/PjvUtJ6EdO #openscience
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