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Effects of phosphorylation on 3D conformation of proteins
Tomčalová, Brenda ; Novotný, Marian (advisor) ; Vymětal, Jiří (referee)
Phosphorylation is one of the most ubiquitous posttranslational modification types. Understanding of itsfunction and regulation has significant impact on diagnosis and treatment of many diseases. This thesis presents and summarizes the results of several publications that analyze phosphorylation on large datasets using bioinformatics tools. In this thesis the general principles how the phosphorylation influences physico-chemical properties of proteins are described. In the first and the second chapter the evolution principles, function and regulation of protein kinases and phosphatases are provided. In the third chapter thesis concentrates on the distributions of phosphorylated sites among organisms (plants and animals). In the last chapter current knowledge of orthosteric and allosteric effects of phosphorylation as well as its effects on 2D and 3D structure of phosphorylated proteins is summarized.
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RNA secondary structure visualization using existing structures
Eliáš, Richard ; Hoksza, David (advisor) ; Jelínek, Jan (referee)
Many research aim to RNA molecules and demand for tools enabling their analysis increased. First step is visual inspection of their secondary structure. In order to correctly lay out structure, the notion of optimal layout is required. However, this has never been formalized and is largely habitual. To tackle this problem we propose an algorithm capable of visualizing RNA structure using related one with known layout. Algorithm first converts both RNAs into a tree representation and using tree-edit-distance algorithm finds out the minimum number of operations to convert one structure into the other. All common motives are retained and the regions which differ are taken care of. Results show, that our algorithm is able to give good layouts even for relatively distant structures. It is well suited for visualization of homologous structures. Powered by TCPDF (www.tcpdf.org)
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RNA secondary structure conservation identification module for rPredictor
Pešek, Jan ; Hoksza, David (advisor) ; Škoda, Petr (referee)
The issue of comparing ribosomal RNA secondary structures is currently an open research problem. Goal of this work is to design and implement program comparing so called mutual conservancy of a group of rRNA secondary structures. This program is included as a new module of an existing system called rPredictor consisting of the structure database and an algorithm that predicts these structures. This thesis covers an introduction into the problem of secondary structures conservancy identification and summarizes known approaches towards the problem. The result of this work is a stand alone program for the secondary structure comparison and also a new analytic module of the rPredictor system, where the secondary structure comparison program can be used for comparison of the structures from the rPredictor database. Powered by TCPDF (www.tcpdf.org)
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Domain and structural characterization of tyrosine phosphorylation sites in cancer cells
Vávra, Dan ; Novotný, Marian (advisor) ; Brábek, Jan (referee)
Phosphorylation is an important mechanism for regulation of protein function and aktivity. Tyrosine phosphorylation plays a critical role in signaling pathways. Aberrant tyrosine phosphorylation was observed in many cancer types. My work follows patological details of tyrosine phosphorylation sites of lung and colorectal cancers. Point of view includes aminoacid sequence, secondary structure, domain localization, expression, model organism ortholog occurrence. The project is based on analysis of literary informations and data from protein databases. There are no new phosphorylation sites in observed cancer types. Regular secondary structures, α-helices and β-sheets, are significantly phosphorylated in compare with loops. Annexin and Kinase domains are the most phosphorylated. Gene expression change of phosphorylated proteins occurs in observed cancer cells. Powered by TCPDF (www.tcpdf.org)
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Vizualizace sekundární struktury RNA molekul
Kadlec, Tomáš ; Hoksza, David (advisor) ; Pelikán, Josef (referee)
Title: Visualisation of secondary structure of RNA molecules Author: Tomáš Kadlec Department: Department of Software Engineering Supervisor: RNDr. David Hoksza, Ph.D. Abstract: Because of recent scientific discoveries study of RNA structures is be- coming of greater importance. These structures are more important in biological processes than was originally assumed. Consequently there is a growing need for visualization tools for secondary structures of RNA. Occurrences of pseudoknots makes this problem significantly harder. Visualization of RNA structures throu- gh Force-directed algorithms is explored in this thesis. We summarize progress in the field of FDA and we implement visualization tool based on these algorithms. Resulting tool is also capable of exporting acquired layout to vector format. Keywords: RNA, secondary structure, visualization
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Methods for prediction of secondary structure in proteins
Hoštáková, Nina ; Provazník, Ivo (referee) ; Maděránková, Denisa (advisor)
The examination of protein structure is crucial in determining protein function in organism. This work deals with the issue of 1D, 2D and 3D structures, into which are proteins organized in space. Emphasis is placed on secondary structure, which can be predicted directly from the amino acid sequences and then used for the estimation of spatial structure. On this procedure are focused computational methods, using algorithms that convert the order of amino acids into the order of preferences for secondary structures. To direct determination of the structure by creating structural models is devoted chapter Experimental Methods (NMR spectroscopy, RTG crystallography). The main aim of this work is practical realization of protein secondary structure prediction method. The created program is supplemented by graphical user interface. In the final part the results of the program based on Chou- Fasman method are compared to the outputs of freely available softwares from the Internet.
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Measuring of conformational properties of nucleic acids
Hrazdilová, Ivana ; Renčiuk,, Daniel (referee) ; Maděránková, Denisa (advisor)
This thesis gives a brief characteristic of the most important conformations of nucleic acids. It describes alternative conformations that are different from canonical B-DNA helix, such as A-DNA, Z-DNA, triplex structures, or guanine and cytozin quadruplex structures. In the next part it presents most common methods used for determing secondary structure of nucleic acids, which are nuclear magnetic resonance (NMR), measurement of circular dichroism (CD), X-ray diffraction, computational methods, measurements of ultraviolet absorbance and its utilization for analysis of thermal melting curves. In MATLAB was created algorithm with graphical user interface, which analyze melting curves and graphically computes thermodynamic parameters, which are melting temperature and transition enthalpy, which defines stability of examined sample.
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Quadruplex Detection in DNA Sequences
Sečka, Martin ; Lexa, Matej (referee) ; Martínek, Tomáš (advisor)
This master's thesis focuses on search for sequences potentially forming quadruplexes in DNA sequences, their visualization and filtration. For this purpose a web application was created in cooperation with the Institute of biophysics of Academy of science of Czech republic. This application uses a newly created algorithm able to find all possible formations of quadruplex within given input sequence. Design and implementation of this algorithm are also part of this thesis.
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Web Server for Protein Secondary Structure Prediction
Villem, Lukáš ; Očenášek, Pavel (referee) ; Burgetová, Ivana (advisor)
This master’s thesis deals with protein secondary structure prediction. There is a theoretical introduction followed by study of available tools, proposal and implementation of web application, which combines functionality of several web tools used to predict secondary structure. User is asked to choose prediction methods and insert input sequence as plain text or upload a file. Results collected from selected tools serve to convert data into common format, show the result and create new type of prediction. Finally, the testing is applied and influences of tools are adjusted in order to increase percentage of prediction. The output of application is a result of prediction also available as plain text or as a file.
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Prediction of Quadruplex Structure
Mikula, Adrian ; Lexa, Matej (referee) ; Martínek, Tomáš (advisor)
This master's thesis focuses on search and structure prediction of quadruplexes in DNA sequences. Thesis also explains related terms that are important for understanding the function, properties and geometry of quadruplexes. Thesis describe physico-chemical and computational current methods, which possible to discover and structure prediction. This paper also explain the principle of molecular modelling, which was used in the final application. Design and implementation of the final algorithm are also part of this thesis.
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