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 to Jordi

05 March 2020

Jordi and Julien have co-authored with the Bownan and Gervasio groups a perspective on computational studies of cryptic pockets in protein structures. The work has now been published in Accounts...

Welcome to Juliette

24 February 2020

Welcome to Juliette Fenogli, ia new visiting research student from l'Ecole Normale Supérieure de Paris. Juliette will spend the next 5 months with us developing methodoligies for binding free energy...

Adéu Jordi !

19 February 2020
Adéu Jordi !

After 4 and half year it was time to say goodbye to Jordi. Over time Jordi got involved in numerous lab projects over time and he will be missed. However...

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...

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East Chem