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000626022 005__ 20250425222644.0
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000626022 0247_ $$2datacite_doi$$a10.3204/PUBDB-2025-01259
000626022 037__ $$aPUBDB-2025-01259
000626022 041__ $$aEnglish
000626022 1001_ $$0P:(DE-H253)PIP1097764$$aEdich, Maximilian$$b0$$eCorresponding author$$gmale
000626022 245__ $$aAlphaFold2-Assisted Domain Determination of the SARS-CoV-2 Protein NSP3 & Exploration of the Solvent Region of Macromolecular Crystals with Experimental Phasing$$f2021-05-01 - 2024-07-12
000626022 260__ $$c2024
000626022 300__ $$a172
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000626022 3367_ $$0PUB:(DE-HGF)11$$2PUB:(DE-HGF)$$aDissertation / PhD Thesis$$bphd$$mphd$$s1745569723_1308643
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000626022 502__ $$aDissertation, University of Hamburg, 2024$$bDissertation$$cUniversity of Hamburg$$d2024
000626022 520__ $$aProteins fulfil various essential functions in all known life forms and modern biotechnology enabled their use in experimental, medical, and industrial applications. Knowledge about the structure and function can be used to optimize proteins for these applications and finds use in drug discovery, if a the protein originates from a pathogen. In this work, the multidomain protein NSP3 from coronaviruses was examined with bioinformatical methods and with structure prediction. The results include the identification and experimental validation of a previously unknown domain and a new hypothesis about functions of additional domains. Furthermore, the manual process of a new domain determination technique was automated to enable use in any multidomain protein. In the second part of this dissertation, the electron density of solvent regions from macromolecular crystals was examined. Specifically, reflection data was experimentally phased in a newly developed automated pipeline. The resulting density maps were compared to published maps and the new insights enabled the construction of new water models, which improved one structure and lowered its R-values.
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000626022 536__ $$0G:(DE-HGF)2015_IFV-VH-GS-500$$aPHGS, VH-GS-500 - PIER Helmholtz Graduate School (2015_IFV-VH-GS-500)$$c2015_IFV-VH-GS-500$$x1
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000626022 7001_ $$0P:(DE-H253)PIP1032368$$aThorn, Andrea Regina Shirin$$b1$$eThesis advisor
000626022 7001_ $$0P:(DE-HGF)0$$aTorda, Andrew$$b2$$eThesis advisor
000626022 8564_ $$uhttps://ediss.sub.uni-hamburg.de/handle/ediss/11166
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