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. 


Research Software Engineer opportunity:

''Supporting the OpenMM Community-led Development of Next-Generation Condensed Matter Modelling Software'' 

Latest News

Half year update

01 June 2023

A lot has happened lately and I have been too busy to share news about the lab activities. Here is a summary of all the good things that happened since...

New preprint on ABFE methodologies

23 January 2023

Congratulations to Finlay whose collaborative work with Graeme Robb (AstraZeneca) and Daniel Cole (Newcastle) is now available as a preprint on chemrxiv.  Finlay's work ''Comparison of Receptor-Ligand Restraint Schemes for...

New PhD opportunity

18 December 2022

We have a vacancy for a PhD studentship starting in Sep 2023. See    

New group photo - November 2022

09 November 2022
New group photo - November 2022

A long overdue task done !   

Our research is supported by:

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Meet our group members

East Chem