Atomistic description of conformational changes in proteins from pico to millisecond timescales
Virtual screens and de-novo ligand design via free energy calculations
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
New preprint on ABFE methodologies
Congratulations to Finlay whose collaborative work with Graeme Robb (AstraZeneca) and Daniel Cole (Newcastle) is now available as a preprint on chemrxiv. Finlay's work ''Comparison of Receptor-Ligand Restraint Schemes for...
New PhD opportunity
We have a vacancy for a PhD studentship starting in Sep 2023. See https://www.julienmichel.net/lab/media/attachments/2022/12/18/phd-studentship-2023-204-modellingallostery.pdf
Welcome to Steve
Stephen Farr has just joined the group as a research software engineer. Steve completed a PhD in Physics at Cambridge with Prof. Rosana Collepardo and was most recently an application consultant...
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RT @EdinInnovations: New spinout @openbiosim from @EdinburghChem & Edinburgh Innovations will tailor its open-source software, developed fo…

@NicholasRuncie Also fails at writing correct SMILES consistently.
Meet our group members