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dc.contributor.advisorTůma, Roman
dc.contributor.authorHalbeisen, Marco
dc.date.accessioned2025-03-06T08:58:36Z
dc.date.available2025-03-06T08:58:36Z
dc.date.issued2022
dc.date.submitted2022-05-12
dc.identifier.urihttps://dspace.jcu.cz/handle/20.500.14390/46852
dc.description.abstractIn this bachelor thesis the focus was on the study of non-structural proteins of the tick-borne encephalitis virus involved in the replicatory process of the virus. Non-structural protein number 3 (NS3) and number 5 (NS5) contain a helicase and an RNA-dependent RNA polymerase domain, respectively, and play a crucial role in the life cycle of the virus. Therefore, they are of interest to develop a potential antiviral drug inhibiting the replication of the pathogen. It has been found that these two proteins form a dimer during the replication of the viral RNA. The aim of the thesis was to identify the exact interaction of the two proteins with existing hydrogen-deuterium mass spectroscopy data as well as modelling the RNA into the complexes. The research was conducted by using computational biology tools including homology modelling using MODELLER, manual modelling in PyMOL and Chimera as well as Molecular Dynamics Simulations in GROMACS.cze
dc.format67
dc.format67
dc.language.isoeng
dc.publisherJihočeská univerzitacze
dc.rightsBez omezení
dc.subjectPyMOLcze
dc.subjectHomology modellingcze
dc.subjectMolecular dynamics simulationcze
dc.subjectsite directed mutagenesiscze
dc.subjectPyMOLeng
dc.subjectHomology modellingeng
dc.subjectMolecular dynamics simulationeng
dc.subjectsite directed mutagenesiseng
dc.titleModelling of tick borne enecephalitis virus (TBEV) proteins and their complexescze
dc.title.alternativeModelling of tick borne enecephalitis virus (TBEV) proteins and their complexeseng
dc.typebakalářská prácecze
dc.identifier.stag63828
dc.description.abstract-translatedIn this bachelor thesis the focus was on the study of non-structural proteins of the tick-borne encephalitis virus involved in the replicatory process of the virus. Non-structural protein number 3 (NS3) and number 5 (NS5) contain a helicase and an RNA-dependent RNA polymerase domain, respectively, and play a crucial role in the life cycle of the virus. Therefore, they are of interest to develop a potential antiviral drug inhibiting the replication of the pathogen. It has been found that these two proteins form a dimer during the replication of the viral RNA. The aim of the thesis was to identify the exact interaction of the two proteins with existing hydrogen-deuterium mass spectroscopy data as well as modelling the RNA into the complexes. The research was conducted by using computational biology tools including homology modelling using MODELLER, manual modelling in PyMOL and Chimera as well as Molecular Dynamics Simulations in GROMACS.eng
dc.date.accepted2022-06-15
dc.description.departmentPřírodovědecká fakultacze
dc.thesis.degree-disciplineBiological Chemistrycze
dc.thesis.degree-grantorJihočeská univerzita. Přírodovědecká fakultacze
dc.thesis.degree-nameBc.
dc.thesis.degree-programBiological Chemistrycze
dc.description.gradeDokončená práce s úspěšnou obhajoboucze
dc.description.defence<p>Prof. Grubhoffer welcame the student, the commission members, and the audience. The student presented the basics of TBEV replication, polyprotein production and processing, and information on the two studied proteins NS3 and NS5 and their subdomains. Next, the student presented the flow of his work, modelling and studies on both proteins and their subdomains, proposed site-directed mutagenesis and production of mutated proteins. Finally, the results were discussed.</p> <p>Co-supervisor Dr Franta presented the review of the supervisor assoc. prof. Tůma, followed by the opponent Libor Hejduk, MSc. The student answered all the questions. Then he answered questions regarding the phosphate release assay.</p> <p>4x excellent - final excellent.</p> <p>The commission suggests this work an Award by the head of the Dept. of Chemistry.</p>cze


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