Dipl.-Ing. Dr. Thomas Seidel

Thomas Seidel studied Technical Chemistry at the Vienna University of Technology where he received a PhD in Synthetic Organic Chemistry in 2003. From 2004 until 2005 he worked as a postdoctoral research assistant in the group of Prof. Johann Gasteiger at the Computer Chemistry Center/University of Erlangen-Nuremberg. The main focus of his research was the development of methods and algorithms to assess the synthetic accessibility of compounds generated by de novo design. After his postdoctoral stay he returned to Vienna for a position at the company InteLigand GmbH where he developed cheminformatics software for pharmacophore modeling and virtual screening. Since 2014 Thomas Seidel is a senior PostDoc at the Department of Pharmaceutical Chemistry/University of Vienna where he leads the chemoinformatics research group. The main topics of his research are the development and implementation of novel algorithms for pharmacophore-based drug development, the advancement of the pharmacophore concept and the application of molecular dynamics simulations and machine learning methods in the context of molecular design.

 

Contact
E-Mail: thomas.seidel@univie.ac.at
Tel: +43-1-4277-55051
Room: 2E 354
Publications: u:cris

Showing entries 1 - 20 out of 47
Simeone X, Khom S, Doppler AM, Seidel T, Scholze P, Tabakoff B et al. Nezavist (DCUK-OEt) and aminoquinoline analogues interact with the etomidate site and display a complex mode of modulatory action of the GABA A receptor. European Journal of Pharmacology. 2025 Dec 17;1012:178464. Epub 2025 Dec 17. doi: 10.1016/j.ejphar.2025.178464

Fellinger C, Seidel T, Merget B, Schleifer KJ, Langer T. GRADE and X-GRADE: Unveiling Novel Protein–Ligand Interaction Fingerprints Based on GRAIL Scores. Journal of Chemical Information and Modeling. 2025 Feb 20.

Xu Y, Mortensen M, Liebowitz S, Jensen NN, Tian Y, Bavo F et al. Design, Synthesis, and Pharmacological Evaluation of Nonsteroidal Tricyclic Ligands as Modulators of GABAA Receptors. Journal of Medicinal Chemistry. 2025 Feb 13;68(3):3795-3813. Epub 2025 Jan 14. doi: 10.1021/acs.jmedchem.4c02881

Rose D, Wieder O, Seidel T, Langer T. PharmacoMatch: Efficient 3D Pharmacophore Screening via Neural Subgraph Matching. In The Thirteenth International Conference on Learning Representations. 2025

Kriege NM, Seidel T, Humbeck L, Lessel U. Chemical Similarity and Substructure Searches. In Encyclopedia of Bioinformatics and Computational Biology (Second Edition). 2 ed. Vol. 3. Elsevier. 2025 doi: 10.1016/B978-0-323-95502-7.00048-8

Müller V, Ernst M, Baykuchkarova A, Koniuszewski F, Bampali K, Seidel T et al. Probes for the heterogeneity of muscimol binding sites in rat brain. Frontiers in Pharmacology. 2024 Mar 14;15:1368527. doi: 10.3389/fphar.2024.1368527

Chen Y, Seidel T, Jacob RA, Hirte S, Mazzolari A, Pedretti A et al. Active Learning Approach for Guiding Site-of-Metabolism Measurement and Annotation. Journal of Chemical Information and Modeling. 2024 Jan 22;64(2):348-358. Epub 2024 Jan 3. doi: 10.1021/acs.jcim.3c01588

Bampali K, Koniuszewski F, Vogel FD, Fabjan J, Andronis C, Lekka E et al. GABAA receptor-mediated seizure liabilities: a mixed-methods screening approach. Cell Biology and Toxicology. 2023 Dec;39(6):2793-2819. doi: 10.1007/s10565-023-09803-y

Seidel T, Permann C, Wieder O, Kohlbacher SM, Langer T. High-Quality Conformer Generation with CONFORGE: Algorithm and Performance Assessment. Journal of Chemical Information and Modeling. 2023 Sept 11;63(17):5549-5570. doi: 10.1021/acs.jcim.3c00563

Kohlbacher SM, Ibis G, Permann C, Bryant S, Langer T, Seidel T. A new set of KNIME nodes implementing the QPhAR algorithm. Molecular Informatics. 2023 May;42(5):2200245. Epub 2023 Mar 5. doi: 10.1002/minf.202200245

Heider J, Kilian J, Garifulina A, Hering S, Langer T, Seidel T. Apo2ph4: A Versatile Workflow for the Generation of Receptor-based Pharmacophore Models for Virtual Screening. Journal of Chemical Information and Modeling. 2023 Jan 9;63(1):101-110. doi: 10.1021/acs.jcim.2c00814

Simeone X, Ernst M, Seidel T, Heider J, Enz D, Monticelli S et al. Novel alpha6 preferring GABA-A receptor ligands based on loreclezole. European Journal of Medicinal Chemistry. 2022 Dec 15;244:114780. doi: 10.1016/j.ejmech.2022.114780

Bryant SD, Seidel T, Heider J, Langer T, Ernst M, Kohlbacher SM et al. The NeuroDeRisk toolbox: DeRisking chemical structures for neurotoxic adverse outcomes. Toxicology Letters. 2022 Sept 1;368(Suppl.1):S82-S82. doi: 10.1016/j.toxlet.2022.07.239, 10.1016/j.toxlet.2022.07.239

Bampali K, Koniuszewski F, Silva LL, Rehman S, Vogel FD, Seidel T et al. Tricyclic antipsychotics and antidepressants can inhibit α5-containing GABAA receptors by two distinct mechanisms. British Journal of Pharmacology. 2022 Jul;179(14):3675-3692. doi: 10.1111/bph.15807

Koniuszewski F, Vogel FD, Bampali K, Fabjan J, Seidel T, Scholze P et al. Molecular Mingling: Multimodal Predictions of Ligand Promiscuity in Pentameric Ligand-Gated Ion Channels. Frontiers in Molecular Biosciences. 2022 May 9;9:860246. doi: 10.3389/fmolb.2022.860246

Pranweerapaiboon K, Garon A, Seidel T, Janta S, Plubrukarn A, Chaithirayanon K et al. In vitro and in silico studies of holothurin A on androgen receptor in prostate cancer. Journal of biomolecular structure & dynamics. 2022;40(23):12674-12682. Epub 2021 Sept 13. doi: 10.1080/07391102.2021.1975562

Showing entries 1 - 20 out of 47