| Computational prediction of protein–protein binding affinities T Siebenmorgen, M Zacharias Wiley Interdisciplinary Reviews: Computational Molecular Science 10 (3), e1448, 2020 | 141 | 2020 |
| Evaluation of predicted protein–protein complexes by binding free energy simulations T Siebenmorgen, M Zacharias Journal of chemical theory and computation 15 (3), 2071-2086, 2019 | 60 | 2019 |
| Prediction of protein–protein complexes using replica exchange with repulsive scaling T Siebenmorgen, M Engelhard, M Zacharias Journal of Computational Chemistry 41 (15), 1436-1447, 2020 | 28 | 2020 |
| Origin of ion specificity of telomeric DNA G-quadruplexes investigated by free-energy simulations T Siebenmorgen, M Zacharias Biophysical journal 112 (11), 2280-2290, 2017 | 21 | 2017 |
| Efficient refinement and free energy scoring of predicted protein–protein complexes using replica exchange with repulsive scaling T Siebenmorgen, M Zacharias Journal of Chemical Information and Modeling 60 (11), 5552-5562, 2020 | 19 | 2020 |
| MISATO: machine learning dataset of protein–ligand complexes for structure-based drug discovery T Siebenmorgen, F Menezes, S Benassou, E Merdivan, K Didi, ... Nature Computational Science, 1-12, 2024 | 13 | 2024 |
| Evaluation of replica exchange with repulsive scaling approach for docking glycosaminoglycans M Maszota‐Zieleniak, M Marcisz, MM Kogut, T Siebenmorgen, ... Journal of Computational Chemistry 42 (15), 1040-1053, 2021 | 12 | 2021 |
| Explicit solvent repulsive scaling replica exchange molecular dynamics (RS‐REMD) in molecular modeling of protein‐glycosaminoglycan complexes M Marcisz, M Gaardløs, KK Bojarski, T Siebenmorgen, M Zacharias, ... Journal of Computational Chemistry 43 (24), 1633-1640, 2022 | 9 | 2022 |
| Despite the odds: formation of the SARS-CoV-2 methylation complex A Matsuda, J Plewka, M Rawski, A Mourão, W Zajko, T Siebenmorgen, ... Nucleic Acids Research, gkae165, 2024 | 5 | 2024 |
| Extrinsic stabilization of antiviral ACE2-Fc fusion proteins targeting SARS-CoV-2 HL Svilenov, F Delhommel, T Siebenmorgen, F Rührnößl, GM Popowicz, ... Communications Biology 6 (1), 386, 2023 | 3 | 2023 |
| Small molecule mediated inhibition of protein cargo recognition by peroxisomal transport receptor PEX5 is toxic to Trypanosoma V Napolitano, CA Softley, A Blat, VC Kalel, K Schorpp, T Siebenmorgen, ... Scientific Reports 12 (1), 14705, 2022 | 3 | 2022 |
| Assembly-dependent Structure Formation Shapes Human Interleukin-23 versus Interleukin-12 Secretion I Aschenbrenner, T Siebenmorgen, A Lopez, M Parr, P Ruckgaber, ... Journal of Molecular Biology 435 (23), 168300, 2023 | 1 | 2023 |
| Refinement of Docked Protein-Protein Complexes Using Repulsive Scaling Replica Exchange Simulations T Siebenmorgen, Y Saremi Nanji, M Zacharias Protein-Protein Docking: Methods and Protocols, 289-302, 2024 | | 2024 |
| Repulsive scaling replica exchange molecular dynamicsfunction for GAG docking M Marcisz, M Maszota-Zieleniak, M Gaardløs, T Siebenmorgen, ... Department of Theoretical Chemistry, 2022 | | 2022 |
