Dr. Katrin Schöning-Stierand, Dr. Christiane Ehrt

ZOOM Meeting

May 5th, 2021

4 pm

Chair: Dr. Alke Meents



We are happy to announce that Dr. Katrin Schöning-Stierand and Dr. Christiane Ehrt. (ZBH - Center for Bioinformatics, Universität Hamburg) will present highlights of their research on SARS-CoV-2. We are looking forward to the talk "Exploring SARS-CoV-2 Targets with the ProteinsPlus Web Server" dedicated to the introduction of a user-friendly and up-to-date web server (https://proteins.plus/) for the exploration of pharmaceutically relevant targets and its application to SARS-CoV-2. Also check out a recent article on their work for the de.NBI network (German Network for Bioinformatics Infrastructure): https://www.denbi.de/images/Downloads/deNBI_COVID19_brochure.pdf


Drug repurposing, computational high-throughput screening, crystallographic analyses - these are the keywords that dominate a huge part of today’s COVID-19 research to find ways out of the pandemic that threatens our health systems, economy and private lives. In this session, we present the ProteinsPlus web server (https://proteins.plus/) [1] that enables quick access to the available structural data concerning SARS-CoV-2 and offers various tools which facilitate the analysis of protein structure quality, the comparison of ligand binding sites and the exploration of novel targets for structure-based design.
The first part of the talk will be dedicated to a short introduction to the capabilities of this unique web server that offers tools for proteins structure analysis, comparison, and molecular docking of interesting drug candidates. The second part will focus on the application of the ProteinsPlus tool GeoMine [2] and its role in the search for new inhibitors of two promising SARS-CoV-2 targets.

[1] Schöning-Stierand, K.; Diedrich, K.; Fährrolfes, R.; Flachsenberg, F.; Meyder, A.; Nittinger, E.; Steinegger, R.; Rarey, M. (2020). ProteinsPlus: interactive analysis of protein–ligand binding interfaces. Nucleic Acids Research, 48:W48-W53.
[2] Diedrich, K.; Graef, J.; Schöning-Stierand, K.; Rarey, M. (2020). GeoMine: interactive pattern mining of proteinligand interfaces in the Protein Data Bank. Bioinformatics, btaa693.


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