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

Turning academic software into a tool for industrial R&D

03 December 2019

I'm excited that our collaboration with the life science software company Cresset has now led to the release of an FEP workflow based on open source academic code in Cresset's...

Congratulations to team BioSimspace

22 November 2019

Congratulations to the BioSimSpace team from the Universities of Edinburgh, Bristol, Nottingham & UCL for publishing ''BioSimSpace: An interoperable Python framework for biomolecular simulation''BioSimSpace: An interoperable Python framework for biomolecular...

Virtual reality user interface for interactive ensemble MD

24 August 2019

We have recently completed exciting studies with our VR prototype for interactive ensemble MD simulations of protein conformational changes and some of the results will be presented at the ACS...

Computer-powered chemistry & Edinburgh Science Festival

19 April 2019
Computer-powered chemistry & Edinburgh Science Festival

Our virtual reality prototype for interactive molecular dynamics simulations was recently showcased at the Edinburgh Science Festival as part of the 'Computer-powered chemistry' animation. Thanks to the demonstrators that made...

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Julien Michel
RT @cressetgroup: #Compchem and #medchem, particularly in the #pharmaceuticalindustry, are always looking for ways to improve productivity…
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RT @EricHolthaus: Just in: Global carbon emissions hit a new all-time high in 2019, up 0.6% from last year. This news is shockingly import…
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Very excited by this opportunity to expand the impact of open source based #FEP methods on drug discovery in indust… https://t.co/0nicL0Q9kS
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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