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 Audrius

26 September 2022

A warm welcome to Audrius Kalpokas who joined the lab earlier this month to pursue a PhD on protein FEP methodologies in collaboration with Cresset. Audrius previously completed a Masters...

New preprint on FEP networks

07 July 2022

A good chunk of Jenke's doctoral research is now available as a preprint entitled ''Data-driven Generation of Perturbation Networks for Relative Binding Free Energy Calculations'' on Chemrxiv . Well done Jenke...

Welcome to PGT students Tianqun and Mahmoud

05 July 2022

A slightly belated welcome to students Tianqun and Mahmoud who will be doing their PGT MSc in Medicinal and Biological Chemistry summer research project with us.  

Congrats Abbie

05 July 2022

  A big well done for Abbie Lear who received the class prize for best dissertation for a final year MChem research project at Edinburgh. We wish the best of...

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