@misc{Selig2007, type = {Master Thesis}, author = {Selig, Christian}, title = {The ITS2 Database - Application and Extension}, url = {http://nbn-resolving.de/urn:nbn:de:bvb:20-opus-23895}, school = {Universit{\"a}t W{\"u}rzburg}, year = {2007}, abstract = {Der internal transcribed spacer 2 (ITS2) des ribosomalen Genrepeats ist ein zunehmend wichtiger phylogenetischer Marker, dessen RNA-Sekund{\"a}rstruktur innerhalb vieler eukaryontischer Organismen konserviert ist. Die ITS2-Datenbank hat zum Ziel, eine umfangreiche Ressource f{\"u}r ITS2-Sequenzen und -Sekund{\"a}rstrukturen auf Basis direkter thermodynamischer als auch homologiemodellierter RNA-Faltung zu sein. Ergebnisse: (a) Eine komplette Neufassung der urspr{\"u}nglichen die ITS2-Datenbank generierenden Skripte, angewandt auf einen aktuellen NCBI-Datensatz, deckte mehr als 65.000 ITS2-Strukturen auf. Dies verdoppelt den Inhalt der urspr{\"u}nglichen Datenbank und verdreifacht ihn, wenn partielle Strukturen mit einbezogen werden. (b) Die Endbenutzer-Schnittstelle wurde neu geschrieben, erweitert und ist jetzt in der Lage, benutzerdefinierte Homologiemodellierungen durchzuf{\"u}hren. (c) Andere m{\"o}glichen RNA-Strukturaufkl{\"a}rungsmethoden (suboptimales und formenbasiertes Falten) sind hilfreich, k{\"o}nnen aber Homologiemodellierung nicht ersetzen. (d) Ein Anwendungsfall der ITS2-Datenbank in Zusammenhang mit anderen am Lehrstuhl entwickelten Werkzeugen gab Einblick in die Verwendung von ITS2 f{\"u}r molekulare Phylogenie.}, subject = {Phylogenie}, language = {en} } @phdthesis{Zeeshan2012, author = {Zeeshan, Ahmed}, title = {Bioinformatics Software for Metabolic and Health Care Data Management}, url = {http://nbn-resolving.de/urn:nbn:de:bvb:20-opus-73926}, school = {Universit{\"a}t W{\"u}rzburg}, year = {2012}, abstract = {Computer Science approaches (software, database, management systems) are powerful tools to boost research. Here they are applied to metabolic modelling in infections as well as health care management. Starting from a comparative analysis this thesis shows own steps and examples towards improvement in metabolic modelling software and health data management. In section 2, new experimental data on metabolites and enzymes induce high interest in metabolic modelling including metabolic flux calculations. Data analysis of metabolites, calculation of metabolic fluxes, pathways and their condition-specific strengths is now possible by an advantageous combination of specific software. How can available software for metabolic modelling be improved from a computational point of view? A number of available and well established software solutions are first discussed individually. This includes information on software origin, capabilities, development and used methodology. Performance information is obtained for the compared software using provided example data sets. A feature based comparison shows limitations and advantages of the compared software for specific tasks in metabolic modeling. Often found limitations include third party software dependence, no comprehensive database management and no standard format for data input and output. Graphical visualization can be improved for complex data visualization and at the web based graphical interface. Other areas for development are platform independency, product line architecture, data standardization, open source movement and new methodologies. The comparison shows clearly space for further software application development including steps towards an optimal user friendly graphical user interface, platform independence, database management system and third party independence especially in the case of desktop applications. The found limitations are not limited to the software compared and are of course also actively tackled in some of the most recent developments. Other improvements should aim at generality and standard data input formats, improved visualization of not only the input data set but also analyzed results. We hope, with the implementation of these suggestions, metabolic software applications will become more professional, cheap, reliable and attractive for the user. Nevertheless, keeping these inherent limitations in mind, we are confident that the tools compared can be recommended for metabolic modeling for instance to model metabolic fluxes in bacteria or metabolic data analysis and studies in infection biology. ...}, subject = {Stoffwechsel}, language = {en} }