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

PhD studentship opportunity (computational chemistry):

''Advancing structure-based drug design with novel binding free-energy calculations methods''

Latest News

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.

Our research is featured

14 December 2017
Our research is featured

Read about some of the computational work on drug design and Cyclophilins that we have carried out thanks to ARCHER, the UK's national supercomputing service here.     

New group photo

06 December 2017
New group photo

And finally a long overdue group photo, taken in the newly refurbished social space of the school of Chemistry. 

Latest Tweets

Julien Michel
Register to hear Michail Papadourakis talk about our group results in #SAMPL6 ! R^2 >0.9, MUE < 1 kcal mol^-1 for s… https://t.co/ihGXWgoRtr
Julien Michel
RT @cenmag: Targeted protein degraders promise to open up a whole new range of #drug targets. But first #medicinal #chemists need to rewrit…
Julien Michel
RT @BristolChem: Lung cancer drug resistance explained by computer simulations - research from the School of Chemistry with collaborators f…
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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