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

PhD studentship opportunity:

 ''A high-throughput FEP pipeline for optimisation of hits into leads for novel drug targets''

in collaboration with the pharmaceutical company EvotecEvotec in Abingdon.

Latest News

Well done Jenke !

17 February 2021

Congratulations to Jenke who was awarded a poster prize at the virtual Young Modeller's Forum meeting on February 12th for his poster ''Data-driven estimation of optimally-designed perturbation networks in relative...

Congratulations to Michail

03 February 2021
Congratulations to Michail

Well done to Michail for defending the first Michel group Zoom PhD viva last week ! Of course we had to celebrate online. Michail has already moved on to a...

PhD studentships

14 December 2020

We have openings for several Phd studentships starting in September 2021. See the lab's homepage for details.     

Congrats to Jordi and Salomé

12 November 2020

Well done to ex-group members Jordi and Salomé who have now published their work on virtual reality visualisation for ensemble molecular dynamics simulations workflows in the Journal of Chemical Information...

Latest Tweets


@drGregBowman Midish I would say

@DrHorrell Ah *unsee*

@seerymk Thanks for sharing. It has been a tough year for many. I am sure you will land on your feet, you will be missed @EdinburghChem !
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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
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