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. 

Currently

Latest News

Well done Stefano

09 October 2018

Congratulations to Stefano Bosisio for co-authoring the paper ''Reproducibility of Free Energy Calculations Across Different Molecular Simulation Software''  now published in the Journal of Chemical Theory and Computation. This was...

Welcome to our new group members !

02 October 2018

The academic year is in full swing now and we welcome several new group members. Jenke Scheen and Maria-Eleni Kouridaki are new PhD students. Sofia Barami will finish the second...

Goodbye Charis and Pattama

12 September 2018
Goodbye Charis and Pattama

Goodbye to Charis Georgiou who, after 5y with us, has moved on to new pastures to take up a postdoc position at the University of Bergen with Ruth Brenk. Pattama...

Well done Joan

12 September 2018

Congratulations to Joan Clark-Nicolas for winning a  prize at the 6th CCPBioSim annual meeting for his poster on ''A Collective Variable and a Sampling Algorithm to Induce the Opening of...

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Our research is supported by:

funder-dpst
funder-epsrc
funder-erc
funder-evotec
funder-mariecurieactions
funder-newton
funder-nvidia
funder-royalsociety
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Meet our group members

East Chem