svatunek // lab

Preprints

1. 5.

   L. Galustian, J. Karwounopoulos, T. Demuth, J. De Landsheere, K. Mark, M.P.P. Kovar, A. Zamyatin, D. Svatunek, E. Heid*
   moTSart: Accelerating Automated Transition State Search with Generative Models in a Low-Data Regime
   

   ChemRxiv, 2026, DOI: 10.26434/chemrxiv.15002135/v1

   
2. 4.

   D. Svatunek*
   Gaussian Process Modeling of Bioorthogonal Cycloaddition Reactivity from Sparse Data
   

   ChemRxiv, 2026, DOI: 10.26434/chemrxiv.15000346

   
3. 3.

   T. Demuth, D. Svatunek*
   Energy Decomposition Analysis of Theozymes: Insights and Limitations
   

   ChemRxiv, 2025, DOI: 10.26434/chemrxiv-2025-nd9z9

   
4. 2.

   W. Kuba*, A. Schiefer, A. Löffler, N. Houszka, S. Schnöll, M. Staudt, T. Demuth, B. Sohr, M. Haider, R. Kohler, R. Weissleder, D. Svatunek, J. Carlson*, H. Mikula*
   Next-Level Bioorthogonal Bond-Cleavage Through Intramolecular Control of Click-To-Release Chemistry
   

   ChemRxiv, 2025, DOI: 10.26434/chemrxiv-2025-7s39f

   
5. 1.

   D. Svatunek*
   Computational Large-Scale Screening of Bioorthogonal 1,2,4,5-Tetrazine/trans-Cyclooctene Cycloadditions
   

   ChemRxiv, 2024, Preprint, DOI: 10.26434/chemrxiv-2024-24xcv