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

Welcome Jonathan

12 July 2018

Welcome to Jonathan Richards who has taken up a short postdoc position to work on synthesis of Cyclophilin inhibitors. 

Goodbye Alessio

02 July 2018
Goodbye Alessio

A warm goodbye to Alessio De Simone who has taken a research scientist position at Sygnature Discovery.

New translational research grant

25 April 2018

Many thanks to InnovateUK for the award of a grant to support our translational research activities. 

Well done Michail

04 March 2018

At the recent D3R 2018 Workshop (https://drugdesigndata.org/) PhD student Michail Papadourakis presented blinded predictions of host-guest binding energies submitted to the SAMPL6. The results were among the top-ranked in terms...

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Julien Michel
RT @jchodera: How did predictive modeling methods fare in the #SAMPL6 host-guest affinity prediction challenge? Find out in the latest prep…
Julien Michel
RT @biosimspace: Teaching #BioSimSpace to students at the #CCP5 summer school as part of @ccpbiosim outreach. Running on 72 cores on a bare…
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RT @jchodera: Don't patent algorithms, folks. It just impedes the progress of science and ensures the impact of your research will always b…
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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