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. 


Latest News

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 !   

Welcome to Steve

03 November 2022

Stephen Farr has just joined the group as a research software engineer. Steve completed a PhD in Physics at Cambridge with Prof. Rosana Collepardo and was most recently an application consultant...

Latest Tweets

RT @EdinInnovations: New spinout @openbiosim from @EdinburghChem & Edinburgh Innovations will tailor its open-source software, developed fo…

@ChrisWellsWood Also critical points

@NicholasRuncie Also fails at writing correct SMILES consistently.
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Our research is supported by:

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Meet our group members

East Chem