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

Auguri Stefano

22 January 2019
Auguri Stefano

Congratulations to Stefano Bosisio who passed his PhD viva earlier this month. You will be missed Dr Bosisio !     

Lab update

03 December 2018
Lab update

We had a busy November and had many reasons to celebrate as the ERC starting grant ended. Arun has moved on to take up a PDRA position at the University...

Well done cyclophilin team !

23 October 2018
Well done cyclophilin team !

A big well done to Alessio, Charis, Harris, Arun, Jordi who have now published their work on the development of novel cyclophilin inhibitors in the journal Chemical Science.  Wonderful interplay...

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...

Latest Tweets

Julien Michel
@JorgensenWL Please let me know if you find how to !!
Julien Michel
RT @drDavidGlowacki: Training Neural Nets to learn potential energy surfaces using interactive quantum chemistry in virtual reality. nice w…
Julien Michel
@drDavidGlowacki @SAmabilino @simonbennie This tweet wins an award for the largest number of trending keywords in comp. chem today
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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
funder-ucb
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East Chem