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):

''A hybrid molecular simulation/machine learning framework for the rational discovery of allosteric modulators of protein function''

Latest News

Well done team cyclophilin !

15 January 2020

Congratulations to Jordi, Arun, Antonia, Charis, Harris, Alessio whose contributions to our work on manipulating loop dynamics in enzymes via MD simulations and biophysical measurements has now been published in...

Capps Green Zomaya Award

08 January 2020

I am honoured to be the co-recipient of the 9th Capps Green Zomaya Award from the Royal Society of Chemistry for contributions to the field of computational medicinal chemistry. 

Congratulations to Antonia

08 January 2020

Antonia Mey has now officially left the group, but we are super excited that she is staying in the School of Chemistry where she has started her tenure as Cristina...

Congratulations to Lisa

29 December 2019
Congratulations to Lisa

Well done to Lisa Patric for defending successfully her Phd viva earlier this month ! Lisa has moved on to new position as data scientist in the healthcare sector, we...

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Julien Michel
@ACSPublications Do you only accept papers that report studies on Gold ?
Julien Michel
@ChristofJaeger Also good for future you !
Julien Michel
@ChristofJaeger Posting scripts and inputs on github is helpful for this and it’s not even extra work really if don…
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Our research is supported by:

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Meet our group members

East Chem