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

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...

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...

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Julien Michel
Looking forward to visit the Chemistry department at Strathclyde Uni @StrathChem today to speak about our biophysic… https://t.co/ZOwtB3rkFW
Julien Michel
@spant_18 @davidlmobley It’s not straightforward to describe an high energy state in intermediate exchange with the… https://t.co/4stJPfrmNn
Julien Michel
RT @ColeGroupNCL: Day 1 of an exciting new collaboration with @julienmich80 Benchmarking Quantum Mechanical Bespoke Protein Force Fields! M…
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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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Meet our group members

East Chem