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

Goodbye Charis and Pattama

12 September 2018
Goodbye Charis and Pattama

Goodbye to Charis Georgiou who, after 5y with us, has moved on to new pastures to take up a postdoc position at the University of Bergen with Ruth Brenk. Pattama...

Well done Joan

12 September 2018

Congratulations to Joan Clark-Nicolas for winning a  prize at the 6th CCPBioSim annual meeting for his poster on ''A Collective Variable and a Sampling Algorithm to Induce the Opening of...

Virtual reality drug design prototype

31 August 2018
Virtual reality drug design prototype

In collaboration with the software company Interactive Scientific  our group has developed a prototype to manage and interact with ensembles of MD simulations of biomolecular systems using Virtual Reality. This project...

Well done Michail and Stefano

30 August 2018

Congratulations to Michail and Stefano for their new publication in JCAMD ''Blinded predictions of standard binding free energies: lessons learned from the SAMPL6 challenge'' . 

Latest Tweets

Julien Michel
RT @jjuarez_jimenez: For #WorldAlzheimersDay I want to share one of the songs that captures best what this devastating disease can do not o…
Julien Michel
@jchodera @adrian_roitberg 100% my experience too sadly. On the positive side NMR datasets made me feel less bad about MD datasets.
Julien Michel
Philip Camp’s inaugural professorship lecture, why do theoretical chemistry? @EdinburghChem https://t.co/pQygezGlGJ
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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