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. 


EASTBIO PhD studentship opportunity:

''Targeting transient protein states for the design of chemical probes of Cyclophilins function'', in collaboration with the Hulme and Walkinshaw groups at the University of Edinburgh.

Latest News

EASTBIO PhD studentship opportunity

13 October 2017

There is a PhD studentship opportunity to join the group from September 2018 in the area of structure-based drug design. If you are passionate about drug design and want to...

New group members

20 September 2017

Welcome to new PhD students Michail Papadourakis and Marie Bluntzer, and undergraduate students Haofan Yang and Kirsten Ritchie ! 

Congratulations to Charis and Harris

14 July 2017

Congratulations to Charis and Harris for publishing Pushing The Limits Of Detection Of Weak Binding Using Fragment Based Drug Discovery: Identification Of New Cyclophilin Binders in the Journal of Molecular...

Welcome back Charis Georgiou!

01 March 2017
Welcome back Charis Georgiou!

Welcome back to Dr. Charis Georgiou who will be working in the lab on an exciting protein crystallography project.

Latest Tweets

Julien Michel
To port this AI tech to drug discovery we need to teach computers how to play a game we don't know the rules of
Julien Michel
RT @EdinburghUni: Biotech company co-founded by Edinburgh scientists raises $42.5m to find treatments for common cause of blindness https:/…
Julien Michel
Onwards to @BristolUni for the @ccpbiosim BioSimSpace flagship software project kick-off! Collaborative project with several UK/US partners.
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Our research is supported by:

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Meet our group members

East Chem