Julien Michel

University of Edinburgh

United Kingdom

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Articles (10)

Year:

2025

Year:

2025

Year:

2025

Year:

2024

Year:

2024

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2023

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2023

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2023

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2022

Year:

2022

Collaborators (5)

Daniel Cole

Lecturer in computational medicinal chemistry

Newcastle University

UNITED KINGDOM

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Evangelia Notari

University of Edinburgh

UNITED KINGDOM

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Christopher Wood

University of Edinburgh

UNITED KINGDOM

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Graeme Barker

Assistant Professor

Heriot-Watt University

UNITED KINGDOM

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Zoe Cournia

Senior Researcher (Associate Professor rank)

Biomedical Research Foundation of the Academy of Athens

GREECE

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Julien Michel

Research Interests

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Articles (10)

Assessment of the Topology and Oligomerisation States of Coiled Coils Using Metadynamics with Conformational Restraints

Elucidation of the mechanism of partial activation of EPAC1 allosteric modulators by Markov state modelling

Modular and Interoperable Workflows for Benchmarking Alchemical Binding Free Energy Calculation Methodologies

Automated Adaptive Absolute Binding Free Energy Calculations

Comparison of Methodologies for Absolute Binding Free Energy Calculations of Ligands to Intrinsically Disordered Proteins

Comparison of Receptor–Ligand Restraint Schemes for Alchemical Absolute Binding Free Energy Calculations

Deconstructing allostery by computational assessment of the binding determinants of allosteric PTP1B modulators

A Suite of Tutorials for the BioSimSpace Framework for Interoperable Biomolecular Simulation [Article v1.0]

Data-driven generation of perturbation networks for relative binding free energy calculations

Energetics of a protein disorder–order transition in small molecule recognition

Collaborators (5)

Daniel Cole

Evangelia Notari

Christopher Wood

Graeme Barker

Zoe Cournia

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