Thomas Simonson

16PUBLICATIONS
14CO-AUTHORS
Cheminformatics and quantitative structure-activity relationshipsMedical biochemistry - proteins and peptides (incl. medical proteomics)Nanofabrication, growth and self assemblyBioinformatic methods developmentBiomolecular modelling and design
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Publications (16)

|Mar 19, 2024
Classifying protein kinase conformations with machine learning.

Ivan Reveguk, Thomas Simonson

|Sep 05, 2023
PLP-Dependent Enzyme Methionine γ-Lyase: Insights into the Michaelis Complex from Molecular Dynamics and Free Energy Simulations.

Xingyu Chen, Nathan Ferchaud, Pierre Briozzo

|Jul 30, 2023
Redesigning methionyl-tRNA synthetase for β-methionine activity with adaptive landscape flattening and experiments.

Vaitea Opuu, Giuliano Nigro, Christine Lazennec-Schurdevin

|Nov 10, 2020
Physics-Based Computational Protein Design: An Update.

David Mignon, Karen Druart, Eleni Michael

|Sep 09, 2020
Application of Various Molecular Modelling Methods in the Study of Estrogens and Xenoestrogens.

Anna Helena Mazurek, Łukasz Szeleszczuk, Thomas Simonson

|Jan 10, 2020
Adaptive landscape flattening allows the design of both enzyme: Substrate binding and catalytic power.

Vaitea Opuu, Giuliano Nigro, Thomas Gaillard

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Frequent Collaborators

3 joint publications

Thomas Gaillard

2 joint publications

Nicolas Panel

2 joint publications

Alexander D MacKerell

2 joint publications

Benoît Roux