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. 


PhD studentship opportunity (computational chemistry):

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

EASTBIO PhD studentship opportunity (structure-based drug design):

''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

PhD studentship opportunity (computational chemistry)

17 November 2017

There is a PhD studentship opportunity to join the group from September 2018 in the area of biomolecular simulation methods. If you are passionate about computer-aided drug design and want...

Congratulations to Antonia and Jordi

13 November 2017

Congratulations to Antonia and Jordi for publishing Impact of domain knowledge on blinded predictions of binding energies by alchemical free energy calculations in the Journal of Computer Aided Molecular Design.

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 ! 

Latest Tweets

Julien Michel
Preprint of our work ''Allosteric effects in a catalytically impaired variant of the enzyme Cyclophilin A are unrel…
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RT @acmedsci: Dr Cesar Mendoza-Martinez @EdinburghUni @EdinburghChem #AMSWinter on #ligand binding affecting most stable state (open/closed…
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RT @ArvinasInc: More exciting news from Arvinas! We are working with Macroceutics to Establish DEL Screening Collaboration on Undruggable T…
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Our research is supported by:

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Meet our group members

East Chem