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''

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

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. 

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.

Latest Tweets

Julien Michel
RT @jjuarez_jimenez: At @EdinburghChem we use @ARCHER_HPC to study how proteins change shape over time and how this can be used to design n…
Julien Michel
Read about some of the computational work on drug design and cyclophilins that we have carried out thanks to ARCHER… https://t.co/DimCnjiFgm
Julien Michel
RT @drugdesigndata: The overview paper for Grand Challenge 2 is out! https://t.co/qRE2JW6M0L It's part of the special JCAMD issue on this…
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