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

Welcome to our new PhD students

07 September 2021

Welcome to Finlay Clark, Anna Herz and Evangelia Notari who joined the group to pursue PhD projects. Finlay and Anna are working on binding free energy calculation methods, whereas Eva...

Congrats to Adele

21 July 2021

Well done to 1st year PhD student Adele Hardie for winning a poster prize at the 2021 CCP5 Summer School. Adele is working on allosteric fragment-based drug design methodologies.  

Congratulations to Sofia

03 May 2021

Well done to Sofia Bariami who recently published her first (joint first) publication from her PhD studies together with Daniel Cole's team at Newcastle University.  Read Implementation of the QUBE Force...

Well done Jenke !

17 February 2021

Congratulations to Jenke who was awarded a poster prize at the virtual Young Modeller's Forum meeting on February 12th for his poster ''Data-driven estimation of optimally-designed perturbation networks in relative...

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RT @gdefabritiis: PhD and Postodoctoral positions on molecular simulations and machine learning are available. Contact me for more details.…

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