Thomas Simonson
Affiliations: | École Polytechnique Paris |
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Publications
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Chen X, Ferchaud N, Briozzo P, et al. (2023) PLP-Dependent Enzyme Methionine γ-Lyase: Insights into the Michaelis Complex from Molecular Dynamics and Free Energy Simulations. Biochemistry |
Chen X, Briozzo P, Machover D, et al. (2022) A Computational Model for the PLP-Dependent Enzyme Methionine -Lyase. Frontiers in Molecular Biosciences. 9: 886358 |
Opuu V, Mignon D, Simonson T. (2022) Knowledge-Based Unfolded State Model for Protein Design. Methods in Molecular Biology (Clifton, N.J.). 2405: 403-424 |
Michael E, Simonson T. (2021) How much can physics do for protein design? Current Opinion in Structural Biology. 72: 46-54 |
Panel N, Villa F, Opuu V, et al. (2021) Computational Design of PDZ-Peptide Binding. Methods in Molecular Biology (Clifton, N.J.). 2256: 237-255 |
Mignon D, Druart K, Michael E, et al. (2020) Physics-Based Computational Protein Design: An Update. The Journal of Physical Chemistry. A |
Mazurek AH, Szeleszczuk Ł, Simonson T, et al. (2020) Application of Various Molecular Modelling Methods in the Study of Estrogens and Xenoestrogens. International Journal of Molecular Sciences. 21 |
Michael E, Polydorides S, Simonson T, et al. (2020) Hybrid MC/MD for protein design. The Journal of Chemical Physics. 153: 054113 |
Opuu V, Sun YJ, Hou T, et al. (2020) A physics-based energy function allows the computational redesign of a PDZ domain. Scientific Reports. 10: 11150 |
Opuu V, Nigro G, Gaillard T, et al. (2020) Adaptive landscape flattening allows the design of both enzyme: Substrate binding and catalytic power. Plos Computational Biology. 16: e1007600 |