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Prediction of Protein Stability upon Mutations Using Evolution Strategy
Pavlík, David ; Martínek, Tomáš (referee) ; Bendl, Jaroslav (advisor)
This master's thesis deals with the matter of predicting the effects of aminoacid substitutions on protein stability. The main aim is to design meta-classifier that combines the results of the selected prediction tools. An evolution strategy was used to find the best weights for each of the selected tools with the aim of achieving better prediction performance compared to that achieved by using these tools separately. Five different and obtainable prediction tools were selected and their prediction outputs were weighted. Two different approaches of evolution strategy are investigated and compared: evolution strategy with the 1/5-rule and evolution strategy with the type 2 of control parameters self-adaptation. Two independent datasets of mutations were created for training and evaluating the performance of designed meta-classifier. The performed experiments and obtained results suggest that the evolution strategy could be considered as a~beneficial approach for prediction of protein stability changes. However, the special attention must be paid to careful selection of tools for integration and compilation of training and testing datasets.
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Clustering of Protein Sequences Based on Primary Structure of Proteins
Jurásek, Petr ; Stryka, Lukáš (referee) ; Burgetová, Ivana (advisor)
This master's thesis consider clustering of protein sequences based on primary structure of proteins. Studies the protein sequences from they primary structure. Describes methods for similarities in the amino acid sequences of proteins, cluster analysis and clustering algorithms. This thesis presents concept of distance function based on similarity of protein sequences and implements clustering algorithms ANGES, k-means, k-medoids in Python programming language.
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Techniques for Comparing Biological Sequences
Sladký, Roman ; Křivka, Zbyněk (referee) ; Burgetová, Ivana (advisor)
This work presents the building up of basic biological units DNA, RNA and proteins as well as their function. Provided data are kept in biological databases which are connected worldwide to supply preferable communication along with all kinds of available information to be used in the scientific research. The secret of alive is hidden in genes coded in sequences of nucleotides. Genes enable the creation of proteins which are made of sequences of amino-acids. The wide-spread methods of comparing these sequences are FASTA and BLAST algorithms. Their base is used for the PSProt program which is described in this work. PSProt program is the tool for comparing the sequences of proteins. First it is necessary to synthesise the protein from the DNA oligonucleotide because it codes the surveyed protein. The most similar proteins are searched out by heuristic of hitpoints, then their final score that is essential for aligning is modified by semiglobal alignment algorithm.
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Analysis of the Tools for Detecting Similarities between Tertiary Protein Structures
Trlica, Jiří ; Vogel, Ivan (referee) ; Bendl, Jaroslav (advisor)
Alignment of the three-dimensional structures of proteins is an essential task in bioinformatics. Because there are many tools offering this functionality, only a limited subset of them was chosen for comparison (DALI, LOCK 2, SPALIGN, MUSTANG and CLICK). These tools vary in the principle of calculation. Their performance was measured on three proteins, which represent main protein classes (all-α, all-β, α/β). These proteins were tested against a subset of PDB database containing 2 357 records. The results were visualized by ROC curves and the tools were compared by their area under ROC curve (AUC metric). According to this metric, the best results were obtained for SPALIGN.
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Mutual similarity of aminoacid sequences in different organisms
Vysoudil, Ladislav ; Provazník, Ivo (referee) ; Škutková, Helena (advisor)
The aim of this semestral project is to try to study and describe work with sequences of proteins of different organisms, namely above all alligment sequences and evaluation of similarities of sequences. At the beginning of this work we deal with biochemistry of proteins, their constitution and structure. Further text go on with theory for work with sequential data, global, local and multiple assignment. At the last part we investigate possibilities of programme Matlab for aforesaid assignment.
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Hardware Acceleration of Algorithms for Approximate String Matching
Nosek, Ondřej ; Kořenek, Jan (referee) ; Martínek, Tomáš (advisor)
Methods for aproximate string matching of various sequences used in bioinformatics are crucial part of development in this branch. Tasks are of very large time complexity and therefore we want create a hardware platform for acceleration of these computations. Goal of this work is to design a generalized architecture based on FPGA technology, which can work with various types of sequences. Designed acceleration card will use especially dynamic algorithms like Needleman-Wunsch and Smith-Waterman.
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Development of selected CD markers and their role in the phylogenesis of human immune system
Podolská, Tereza ; Růžičková, Šárka (advisor) ; Vinkler, Michal (referee)
In the first part of the thesis we investigated the origin of selected surface CD markers of human, namely CD19, CD20, CD21, CD24, CD27 and CD38 molecules. In addition, nucleotide and amino acid sequences of these molecules were compared using in silico approach. Bioinformatic databases of sequences of selected molecules at DNA, mRNA and protein level, such as GeneBank, NCBI BLAST, Homologene and OrthoDB, have been used. The intent was to identify at the domain level the first organism in which it is possible to find the searched molecule. At the N-terminal domain of the CD38 of birds, a sequence showing significant similarity to the archaebacterial flagellin domain was found. This flagellin sequence in the CD38 avian molecule is located in the region of transmembrane domain, indicating that the occurrence of this sequence might be related to the formation of the transmembrane domain. The approach used here could be implemented in comparative hybridization studies as a tool in the preparatory non-laboratory phase of the research of the presence of paralogs and orthologs in phylogenetically old species. Keywords: CD marker, immunocyte, B lymphocyte, innate and adaptive immunity, sequence database, amino acid, nucleotide
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Development of selected CD markers and their role in the phylogenesis of human immune system
Podolská, Tereza ; Růžičková, Šárka (advisor) ; Vinkler, Michal (referee)
In the first part of the thesis we investigated the origin of selected surface CD markers of human, namely CD19, CD20, CD21, CD24, CD27 and CD38 molecules. In addition, nucleotide and amino acid sequences of these molecules were compared using in silico approach. Bioinformatic databases of sequences of selected molecules at DNA, mRNA and protein level, such as GeneBank, NCBI BLAST, Homologene and OrthoDB, have been used. The intent was to identify at the domain level the first organism in which it is possible to find the searched molecule. At the N-terminal domain of the CD38 of birds, a sequence showing significant similarity to the archaebacterial flagellin domain was found. This flagellin sequence in the CD38 avian molecule is located in the region of transmembrane domain, indicating that the occurrence of this sequence might be related to the formation of the transmembrane domain. The approach used here could be implemented in comparative hybridization studies as a tool in the preparatory non-laboratory phase of the research of the presence of paralogs and orthologs in phylogenetically old species. Keywords: CD marker, immunocyte, B lymphocyte, innate and adaptive immunity, sequence database, amino acid, nucleotide
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