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

Turning academic software into a tool for industrial R&D

03 December 2019

I'm excited that our collaboration with the life science software company Cresset has now led to the release of an FEP workflow based on open source academic code in Cresset's...

Congratulations to team BioSimspace

22 November 2019

Congratulations to the BioSimSpace team from the Universities of Edinburgh, Bristol, Nottingham & UCL for publishing ''BioSimSpace: An interoperable Python framework for biomolecular simulation''BioSimSpace: An interoperable Python framework for biomolecular...

Virtual reality user interface for interactive ensemble MD

24 August 2019

We have recently completed exciting studies with our VR prototype for interactive ensemble MD simulations of protein conformational changes and some of the results will be presented at the ACS...

Computer-powered chemistry & Edinburgh Science Festival

19 April 2019
Computer-powered chemistry & Edinburgh Science Festival

Our virtual reality prototype for interactive molecular dynamics simulations was recently showcased at the Edinburgh Science Festival as part of the 'Computer-powered chemistry' animation. Thanks to the demonstrators that made...

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Julien Michel
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