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. 


PhD studentship opportunity:

''Modelling allosteric modulation of protein function''


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

@ChrisWellsWood Also critical points

@NicholasRuncie Also fails at writing correct SMILES consistently.

@NicholasRuncie Shared my experience about that on mastodon. Could write an eq. constant in terms of concentrations…
Follow Julien Michel is also on Mastodon on Twitter

Our research is supported by:

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Meet our group members

East Chem