Thomas Wein

6PUBLICATIONS
14CO-AUTHORS
Biomolecular modelling and designBiologically active moleculesCheminformatics and quantitative structure-activity relationshipsComputational neuroscience (incl. mathematical neuroscience and theoretical neuroscience)
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Publications (6)

|Apr 11, 2026
Structural optimization of drug molecules with incrementally trained language models.

Tim Hörmann, Domenic Mayer, Max Lewandowski

|Oct 29, 2025
Lead Structure-Based Hybridization Strategy Reveals Major Potency Enhancement of SirReal-Type Sirt2 Inhibitors.

Matthias Frei, Ricky Wirawan, Thomas Wein

|Sep 27, 2025
Balsalazide-Derived Heterotriaryls as Sirtuin 5 Inhibitors: A Case Study of a Reversible Covalent Inhibition Strategy.

Ricky Wirawan, Simon A Huber, Thomas Wein

|Sep 08, 2025
Tailored SirReal-type inhibitors enhance SIRT2 inhibition through ligand stabilization and disruption of NAD+ co-factor binding.

Ricky Wirawan, Matthias Frei, Anna Heider

|May 21, 2025
Structural and mechanistic profiling of Nurr1 modulation by vidofludimus enables structure-guided ligand design.

Úrsula López-García, Jan Vietor, Julian A Marschner

|May 07, 2025
Lead-Structure-Based Rigidization Approach to Optimize SirReal-Type Sirt2 Inhibitors.

Matthias Frei, Thomas Wein, Franz Bracher

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Frequent Collaborators

4 joint publications

Franz Bracher

3 joint publications

Matthias Frei

3 joint publications

Ricky Wirawan

2 joint publications

Daniel Merk