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

Congrats Michail and Stefano

27 January 2020

Well done to Stefano and Michail for their contributions to an extensive multi-lab study on reproducibility of host-guest binding free energies, ''The SAMPL6 SAMPLing challenge: 2 Assessing the reliability and...

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...

Latest Tweets

Julien Michel
@jjuarez_jimenez Come back as often as you want ! It has been a pleasure and a privilege working with you
Julien Michel
RT @janhjensen: A Virtual Reality Environment for Interactive Molecular Dynamics Simulations of Complex Conformational Changes in Proteins…
Julien Michel
@ChemRxiv @jjuarez_jimenez @i_Sci_ @drDavidGlowacki Check also the walkthrough movie of the prototype here:
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Our research is supported by:

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Meet our group members

East Chem