Julien Michel Lab, Edinburgh Univeristy

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 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...