Data for Mechanism of proton-powered c-ring rotation in a mitochondrial ATP synthase.
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Rotation of ATP synthase c-ring
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Rotation of ATP synthase c-ring from MD simulations
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Unraveling the catalytic mechanism of TNAP through advanced molecular modelling
Published:
| Type | Research Internship |
|---|---|
| Level | Master’s student |
| Duration | 6 months |
| Start | Between September 2026 and March 2027 |
| Salary | ~ 600€/month |
| Location | ISA, Lyon, France |
| Contact | Dr Florian Blanc (florian.blanc_at_cnrs.fr), Dr. Guillaume Hoffmann (guillaume.hoffmann_at_univ-lyon1.fr), Prof. Christophe Morell (christophe.morell_at_univ-lyon1.fr) |
publications
Myosin MyTH4-FERM Structures Highlight Important Principles of Convergent Evolution
Proceedings of the National Academy of Sciences, 2016
The Myosin X Motor Is Optimized for Movement on Actin Bundles
Nature Communications, 2016
An Intermediate Along the Recovery Stroke of Myosin VI Revealed by X-ray Crystallography and Molecular Dynamics
Proceedings of the National Academy of Sciences, 2018
In Situ Structural Analysis of SARS-CoV-2 Spike Reveals Flexibility Mediated by Three Hinges
Science, 2020
An Asymmetric Mechanism in a Symmetric Molecular Machine
The Journal of Physical Chemistry Letters, 2021
Computational Epitope Map of SARS-CoV-2 Spike Protein
PLOS Computational Biology, 2021
Antibody Accessibility Determines Location of Spike Surface Mutations in SARS-CoV-2 Variants
PLOS Computational Biology, 2023
Molecular Mechanisms of Inorganic-Phosphate Release from the Core and Barbed End of Actin Filaments
Nature Structural & Molecular Biology, 2023
Mechanism of Proton-Powered c-Ring Rotation in a Mitochondrial ATP Synthase
Proceedings of the National Academy of Sciences, 2024
A weak coupling mechanism for the early steps of the recovery stroke of myosin VI: A free energy simulation and string method analysis
PLOS Computational Biology, 2024
Mechanism of Ag+-Induced Folding of a Bacterial Peptide from Replica-Exchange Molecular Simulations
The Journal of Physical Chemistry Letters, 2026
teaching
Traitement stochastique du signal biomédical
Graduate course, Institut Supérieur des BioSciences (ISBS), 2014
- Spectral analysis: Fourier transform, wavelet transform
- Machine learning: principal component analysis, support vector machines
Biologie Structurale et Modélisation
Graduate course, Université de Strasbourg, 2016
- Introduction to statistical mechanics (microcanonical ensemble, canonical ensemble, free energy, chemical potential).
- Normal mode analysis of protein dynamics (practical session)
Méthodologie Scientifique
Undergraduate course, Université de Strasbourg, 2017
Elementary calculus, linear algebra, Euclidean geometry, trigonometry, probabilities and statistics.
Computational drug discovery
Graduate course, Goethe University Frankfurt, 2021
- Introduction to MD simulations of proteins and small drug-like molecules.
- Statistical-mechanical theory of binding affinity.
- Binding free energy calculations.
- Kinetic perspectives on binding affinity estimation.