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

New publication in Chemical Science

13 April 2022

Very pleased to report that our work on MDM2 ligand binding energetics and intrinsically disordered regions has been published in Chemical Science. I thougth about this project back in 2015...

New EPSRC grant

04 April 2022

We are incredibly excited to announce that our proposal ''Supporting the OpenMM Community-led Development of Next-Generation Condensed Matter Modelling Software'' was funded by EPSRC in the most recent '' Software for...

PhD success

24 March 2022

Congratulations to Marie Bluntzer who successfully defended her PhD thesis yesterday. Thanks to Drew Thompson and Adam Kirrander for acting as external/internal examiners. Marie did incredible work on modelling of...

Science communication success

07 March 2022

We are very proud that Jenke Scheen presented his PhD work today to members of the Parliament in the House of Commons as a finalist of the prestigious annual STEM...

Latest Tweets


RT @V_Erastova: Great first talk at the Joe Black conference @EdinburghChem by @Jenkescheen from @julienmich80 and @ppxasjsm groups Fantas…

@adrian_roitberg @ElisaTelisa The first rule of thermodynamics is: you do not violate the first law of thermodynamics.

RT @ppxasjsm: Hot off the digital press: 1st paper from the group with @jjguven, @MMolkenthinNora, S. Mühle having done a great job analyzi…
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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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