Seidel T - Search Results

1

A Molecular Dynamics-Shared Pharmacophore Approach to Boost Early-Enrichment Virtual Screening: A Case Study on Peroxisome Proliferator-Activated Receptor α.

Perricone U, Wieder M, Seidel T, Langer T, Padova A, Almerico AM, Tutone M. Perricone U, et al. Among authors: seidel t. ChemMedChem. 2017 Aug 22;12(16):1399-1407. doi: 10.1002/cmdc.201600526. Epub 2017 Feb 17. ChemMedChem. 2017. PMID: 28135036

2

Molecule-pharmacophore superpositioning and pattern matching in computational drug design.

Wolber G, Seidel T, Bendix F, Langer T. Wolber G, et al. Among authors: seidel t. Drug Discov Today. 2008 Jan;13(1-2):23-9. doi: 10.1016/j.drudis.2007.09.007. Epub 2007 Nov 5. Drug Discov Today. 2008. PMID: 18190860 Review.

3

Identification of the putative binding pocket of valerenic acid on GABAA receptors using docking studies and site-directed mutagenesis.

Luger D, Poli G, Wieder M, Stadler M, Ke S, Ernst M, Hohaus A, Linder T, Seidel T, Langer T, Khom S, Hering S. Luger D, et al. Among authors: seidel t. Br J Pharmacol. 2015 Nov;172(22):5403-13. doi: 10.1111/bph.13329. Epub 2015 Oct 25. Br J Pharmacol. 2015. PMID: 26375408 Free PMC article.

4

Evaluating the stability of pharmacophore features using molecular dynamics simulations.

Wieder M, Perricone U, Boresch S, Seidel T, Langer T. Wieder M, et al. Among authors: seidel t. Biochem Biophys Res Commun. 2016 Feb 12;470(3):685-689. doi: 10.1016/j.bbrc.2016.01.081. Epub 2016 Jan 16. Biochem Biophys Res Commun. 2016. PMID: 26785387

5

Comparing pharmacophore models derived from crystal structures and from molecular dynamics simulations.

Wieder M, Perricone U, Seidel T, Boresch S, Langer T. Wieder M, et al. Among authors: seidel t. Monatsh Chem. 2016;147:553-563. doi: 10.1007/s00706-016-1674-1. Epub 2016 Feb 22. Monatsh Chem. 2016. PMID: 27069282 Free PMC article.

6

Common Hits Approach: Combining Pharmacophore Modeling and Molecular Dynamics Simulations.

Wieder M, Garon A, Perricone U, Boresch S, Seidel T, Almerico AM, Langer T. Wieder M, et al. Among authors: seidel t. J Chem Inf Model. 2017 Feb 27;57(2):365-385. doi: 10.1021/acs.jcim.6b00674. Epub 2017 Jan 20. J Chem Inf Model. 2017. PMID: 28072524

7

Conformational Sampling of Small Molecules With iCon: Performance Assessment in Comparison With OMEGA.

Poli G, Seidel T, Langer T. Poli G, et al. Among authors: seidel t. Front Chem. 2018 Jun 19;6:229. doi: 10.3389/fchem.2018.00229. eCollection 2018. Front Chem. 2018. PMID: 29971231 Free PMC article.

8

The Use of Dynamic Pharmacophore in Computer-Aided Hit Discovery: A Case Study.

Perricone U, Wieder M, Seidel T, Langer T, Padova A. Perricone U, et al. Among authors: seidel t. Methods Mol Biol. 2018;1824:317-333. doi: 10.1007/978-1-4939-8630-9_19. Methods Mol Biol. 2018. PMID: 30039416

9

GRAIL: GRids of phArmacophore Interaction fieLds.

Schuetz DA, Seidel T, Garon A, Martini R, Körbel M, Ecker GF, Langer T. Schuetz DA, et al. Among authors: seidel t. J Chem Theory Comput. 2018 Sep 11;14(9):4958-4970. doi: 10.1021/acs.jctc.8b00495. Epub 2018 Aug 20. J Chem Theory Comput. 2018. PMID: 30075621

10

Design, Synthesis, and Pharmacological Evaluation of Novel β2/3 Subunit-Selective γ-Aminobutyric Acid Type A (GABA_A) Receptor Modulators.

Stadler M, Monticelli S, Seidel T, Luger D, Salzer I, Boehm S, Holzer W, Schwarzer C, Urban E, Khom S, Langer T, Pace V, Hering S. Stadler M, et al. Among authors: seidel t. J Med Chem. 2019 Jan 10;62(1):317-341. doi: 10.1021/acs.jmedchem.8b00859. Epub 2018 Oct 23. J Med Chem. 2019. PMID: 30289721

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