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

Virtual reality user interface for interactive ensemble MD

24 August 2019

We have recently completed exciting studies with our VR prototype for interactive ensemble MD simulations of protein conformational changes and some of the results will be presented at the ACS...

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 !     

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East Chem