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. 


Latest News

Computer-powered chemistry & Edinburgh Science Festival

19 April 2019
Computer-powered chemistry & Edinburgh Science Festival

Our virtual reality prototype for interactive molecular dynamics simulations was recently showcased at the Edinburgh Science Festival as part of the 'Computer-powered chemistry' animation. Thanks to the demonstrators that made...

Congratulations Pattama and Antonia

30 March 2019

Well done to Pattama Wapeesittipan and Antonia Mey for publishing the article ''Allosteric effects in cyclophilin mutants may be explained by changes in nano-microsecond time scale motions'' in Communications Chemistry. ...

Auguri Stefano

22 January 2019
Auguri Stefano

Congratulations to Stefano Bosisio who passed his PhD viva earlier this month. You will be missed Dr Bosisio !     

Lab update

03 December 2018
Lab update

We had a busy November and had many reasons to celebrate as the ERC starting grant ended. Arun has moved on to take up a PDRA position at the University...

Latest Tweets

Julien Michel
RT @BcompB: Want to learn how to use the @biosimspace metadynamics functionality? Come to the tutorial workshop, directly after the @ccpbio
Julien Michel
RT @CommsChem: Allosteric effects in cyclophilin mutants may be explained by changes in nano-microsecond time scale motions (@julienmich80)…
Julien Michel
@curiouswavefn First book about comp. chem. I read as an undergrad. This is when I realised it was possible to do chemistry with computers.
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Our research is supported by:

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Meet our group members

East Chem