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

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...

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. 

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Our research is supported by:

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