Download or read book Efficient and Accurate Bioinformatics Algorithms for Peptide Mass Spectrometry written by Stephen Will Tanner and published by . This book was released on 2007 with total page 181 pages. Available in PDF, EPUB and Kindle. Book excerpt: Additional research is presented on the analysis of RNA microarrays. Here the goal is the identification of gene sets---such as members of a pathway---which are up- or down-regulated. Here the fundamental data is differential transcription levels, as measured by a t statistic. As with mass spectra, leveraging separate measurements (expression levels across many genes) improves accuracy. And computing the false positive rate in a principled way, with an appropriate null model, is vital for computing valid p-values.

Download or read book Machine Learning In Bioinformatics Of Protein Sequences Algorithms Databases And Resources For Modern Protein Bioinformatics written by Lukasz Kurgan and published by World Scientific. This book was released on 2022-12-06 with total page 378 pages. Available in PDF, EPUB and Kindle. Book excerpt: Machine Learning in Bioinformatics of Protein Sequences guides readers around the rapidly advancing world of cutting-edge machine learning applications in the protein bioinformatics field. Edited by bioinformatics expert, Dr Lukasz Kurgan, and with contributions by a dozen of accomplished researchers, this book provides a holistic view of the structural bioinformatics by covering a broad spectrum of algorithms, databases and software resources for the efficient and accurate prediction and characterization of functional and structural aspects of proteins. It spotlights key advances which include deep neural networks, natural language processing-based sequence embedding and covers a wide range of predictions which comprise of tertiary structure, secondary structure, residue contacts, intrinsic disorder, protein, peptide and nucleic acids-binding sites, hotspots, post-translational modification sites, and protein function. This volume is loaded with practical information that identifies and describes leading predictive tools, useful databases, webservers, and modern software platforms for the development of novel predictive tools.

Download or read book High Performance Algorithms for Mass Spectrometry Based Omics written by Fahad Saeed and published by Springer Nature. This book was released on 2022-09-02 with total page 146 pages. Available in PDF, EPUB and Kindle. Book excerpt: To date, processing of high-throughput Mass Spectrometry (MS) data is accomplished using serial algorithms. Developing new methods to process MS data is an active area of research but there is no single strategy that focuses on scalability of MS based methods. Mass spectrometry is a diverse and versatile technology for high-throughput functional characterization of proteins, small molecules and metabolites in complex biological mixtures. In the recent years the technology has rapidly evolved and is now capable of generating increasingly large (multiple tera-bytes per experiment) and complex (multiple species/microbiome/high-dimensional) data sets. This rapid advance in MS instrumentation must be matched by equally fast and rapid evolution of scalable methods developed for analysis of these complex data sets. Ideally, the new methods should leverage the rich heterogeneous computational resources available in a ubiquitous fashion in the form of multicore, manycore, CPU-GPU, CPU-FPGA, and IntelPhi architectures. The absence of these high-performance computing algorithms now hinders scientific advancements for mass spectrometry research. In this book we illustrate the need for high-performance computing algorithms for MS based proteomics, and proteogenomics and showcase our progress in developing these high-performance algorithms.

Download or read book Mass Spectrometry Data Analysis in Proteomics written by Rune Matthiesen and published by Springer Science & Business Media. This book was released on 2008-02-02 with total page 322 pages. Available in PDF, EPUB and Kindle. Book excerpt: This is an in-depth guide to the theory and practice of analyzing raw mass spectrometry (MS) data in proteomics. The volume outlines available bioinformatics programs, algorithms, and databases available for MS data analysis. General guidelines for data analysis using search engines such as Mascot, Xtandem, and VEMS are provided, with specific attention to identifying poor quality data and optimizing search parameters.

Download or read book Algorithms for Characterizing Peptides and Glycopeptides with Mass Spectrometry written by Lin He and published by . This book was released on 2013 with total page 136 pages. Available in PDF, EPUB and Kindle. Book excerpt: The emergence of tandem mass spectrometry (MS/MS) technology has significantly accelerated protein identification and quantification in proteomics. It enables high-throughput analysis of proteins and their quantities in a complex protein mixture. A mass spectrometer can easily and rapidly generate large volumes of mass spectral data for a biological sample. This bulk of data makes manual interpretation impossible and has also brought numerous challenges in automated data analysis. Algorithmic solutions have been proposed and provide indispensable analytical support in current proteomic experiments. However, new algorithms are still needed to either improve result accuracy or provide additional data analysis capabilities for both protein identification and quantification. Accurate identification of proteins in a sample is the preliminary requirement of a proteomic study. In many cases, a mass spectrum cannot provide complete information to identify the peptide without ambiguity because of the inefficiency of the peptide fragmentation technique and the prevalent existence of noise. We propose ADEPTS to this problem using the complementary information provided in different types of mass spectra. Meanwhile, the occurrence of posttranslational modifications (PTMs) on proteins is another major issue that prevents the interpretation of a large portion of spectra. Using current software tools, users have to specify possible PTMs in advance. However, the number of possible PTMs has to be limited since specifying more PTMs to the software leads to a longer running time and lower result accuracy. Thus, we develop DeNovoPTM and PeaksPTM to provide efficient and accurate solutions. Glycosylation is one of the most frequently observed PTMs in proteomics. It plays important roles in many disease processes and thus has attracted growing research interest. However, lack of algorithms that can identify intact glycopeptides has become the major obstacle that hinders glycoprotein studies. We propose a novel algorithm, GlycoMaster DB, to fulfil this urgent requirement. Additional research is presented on protein quantification, which studies the changes of protein quantity by comparing two or more mass spectral datasets. A crucial problem in the quantification is to correct the retention time distortions between different datasets. Heuristic solutions from previous research have been used in practice but none of them has yet claimed a clear optimization goal. To address this issue, we propose a combinatorial model and practical algorithms for this problem.

Download or read book Proteome Informatics written by Conrad Bessant and published by Royal Society of Chemistry. This book was released on 2016-11-15 with total page 429 pages. Available in PDF, EPUB and Kindle. Book excerpt: The field of proteomics has developed rapidly over the past decade nurturing the need for a detailed introduction to the various informatics topics that underpin the main liquid chromatography tandem mass spectrometry (LC-MS/MS) protocols used for protein identification and quantitation. Proteins are a key component of any biological system, and monitoring proteins using LC-MS/MS proteomics is becoming commonplace in a wide range of biological research areas. However, many researchers treat proteomics software tools as a black box, drawing conclusions from the output of such tools without considering the nuances and limitations of the algorithms on which such software is based. This book seeks to address this situation by bringing together world experts to provide clear explanations of the key algorithms, workflows and analysis frameworks, so that users of proteomics data can be confident that they are using appropriate tools in suitable ways.

Download or read book Advances In Bioinformatics And Its Applications Proceedings Of The International Conference written by Matthew He and published by World Scientific. This book was released on 2005-05-03 with total page 633 pages. Available in PDF, EPUB and Kindle. Book excerpt: This unique volume presents major developments and trends in bioinformatics and its applications. Comprising high-quality scientific research papers and state-of-the-art survey articles, the book has been divided into five main sections: Microarray Analysis and Regulatory Networks; Machine Learning and Statistical Analysis; Biomolecular Sequence and Structure Analysis; Symmetry in Sequences; and Signal Processing, Image Processing and Visualization. The results of these investigations help the practicing biologist in many ways: in identifying unknown connections, in narrowing down possibilities for a search, in suggesting new hypotheses, designing new experiments, validating existing models or proposing new ones. It is an essential source of reference for researchers and graduate students in bioinformatics, computer science, mathematics, statistics, and biological sciences based on select papers from the “The International Conference on Bioinformatics and Its Application” (ICBA), held December 16-19, 2004 in Fort Lauderdale, Florida, USA.

Download or read book Computational Methods for Mass Spectrometry Proteomics written by Ingvar Eidhammer and published by John Wiley & Sons. This book was released on 2008-02-28 with total page 296 pages. Available in PDF, EPUB and Kindle. Book excerpt: Proteomics is the study of the subsets of proteins present in different parts of an organism and how they change with time and varying conditions. Mass spectrometry is the leading technology used in proteomics, and the field relies heavily on bioinformatics to process and analyze the acquired data. Since recent years have seen tremendous developments in instrumentation and proteomics-related bioinformatics, there is clearly a need for a solid introduction to the crossroads where proteomics and bioinformatics meet. Computational Methods for Mass Spectrometry Proteomics describes the different instruments and methodologies used in proteomics in a unified manner. The authors put an emphasis on the computational methods for the different phases of a proteomics analysis, but the underlying principles in protein chemistry and instrument technology are also described. The book is illustrated by a number of figures and examples, and contains exercises for the reader. Written in an accessible yet rigorous style, it is a valuable reference for both informaticians and biologists. Computational Methods for Mass Spectrometry Proteomics is suited for advanced undergraduate and graduate students of bioinformatics and molecular biology with an interest in proteomics. It also provides a good introduction and reference source for researchers new to proteomics, and for people who come into more peripheral contact with the field.

Download or read book Biological Evolution and Statistical Physics written by M. Lässig and published by Springer. This book was released on 2008-01-11 with total page 340 pages. Available in PDF, EPUB and Kindle. Book excerpt: This set of lecture notes gives a first coherent account of a novel aspect of the living world that can be called biological information. The book presents both a pedagogical and state-of-the art roadmap of this rapidly evolving area and covers the whole field, from information which is encoded in the molecular genetic code to the description of large-scale evolution of complex species networks. The book will prove useful for all those who work at the interface of biology, physics and information science.

Download or read book Proteoform Identification written by Liangliang Sun and published by Humana. This book was released on 2023-06-18 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume discusses the latest mass spectrometry (MS)-based technologies for proteoform identification, characterization, and quantification. Some of the topics covered in this book include sample preparation, proteoform separation, proteoform gas-phase fragmentation, and bioinformatics tools for MS data analysis. Written in the highly successful Methods in Molecular Biology series format, chapters include introductions to their respective topics, lists of the necessary materials and reagents, step-by-step, readily reproducible laboratory protocols, and tips on troubleshooting and avoiding known pitfalls. Cutting-edge and comprehensive, Proteoform Identification: Methods and Protocols is a valuable resource for researchers in both academia and the biopharmaceutical industry who are interested in proteoform analysis using MS.

Download or read book Novel Data Analysis Methods and Algorithms for Identification of Peptides and Proteins by Use of Tandem Mass Spectrometry written by Hua Xu and published by . This book was released on 2007 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: Abstract: Tandem mass spectrometry is one of the most important tools for protein analysis. This thesis is focused on the development of new methods and algorithms for tandem mass spectrometry data analysis. A database search engine, MassMatrix, has also been developed that incorporates these methods and algorithms. The program is publicly available both on the web server at www.massmatrix.net and as a deliverable software package for personal computers. Three different scoring algorithms have been developed to identify and characterize proteins and peptides by use of tandem mass spectrometry data. The first one is targeted at the next generation of tandem mass spectrometers that are capable of high mass accuracy and resolution. Two scores calculated by the algorithm are sensitive to high mass accuracy due to the fact that this new algorithm explicitly incorporates mass accuracy into scoring potential peptide and protein matches for tandem mass spectra. The algorithm is further improved by employing Monte Carlo Simulations to calculate ion abundance based scores without any assumptions or simplifications. For high mass accuracy data, MassMatrix provides improvements in sensitivity over other database search programs. The second scoring algorithm based on peptide sequence tags inferred from tandem mass spectra further improves the performance of MassMatrix for low mass accuracy tandem mass spectrometry data. The third algorithm is the first automated data analysis method that uses peptide retention times in liquid chromatography to evaluate potential peptide matches for tandem mass spectrometry data. The algorithm predicts reverse phase liquid chromatography retention times of peptides by their hydrophobicities and compares the predicted retention times with the observed ones to evaluate the peptide matches. In order to handle low quality data, a new method has also been developed to reduce noise in tandem mass spectra and screen poor quality spectra. In addition, a data analysis method for identification of disulfide bonds in proteins and peptides by tandem mass spectrometry data has been developed and incorporated in MassMatrix. By this new approach, proteins and peptides with disulfide bonds can be directly identified in tandem mass spectrometry with high confidence without any chemical reduction and/or other derivatization.

Download or read book Algorithmic and Artificial Intelligence Methods for Protein Bioinformatics written by Yi Pan and published by John Wiley & Sons. This book was released on 2013-11-12 with total page 534 pages. Available in PDF, EPUB and Kindle. Book excerpt: Algorithmic and Artificial Intelligence Methods for Protein Bioinformatics An in-depth look at the latest research, methods, and applications in the field of protein bioinformatics This book presents the latest developments in protein bioinformatics, introducing for the first time cutting-edge research results alongside novel algorithmic and AI methods for the analysis of protein data. In one complete, self-contained volume, Algorithmic and Artificial Intelligence Methods for Protein Bioinformatics addresses key challenges facing both computer scientists and biologists, arming readers with tools and techniques for analyzing and interpreting protein data and solving a variety of biological problems. Featuring a collection of authoritative articles by leaders in the field, this work focuses on the analysis of protein sequences, structures, and interaction networks using both traditional algorithms and AI methods. It also examines, in great detail, data preparation, simulation, experiments, evaluation methods, and applications. Algorithmic and Artificial Intelligence Methods for Protein Bioinformatics: Highlights protein analysis applications such as protein-related drug activity comparison Incorporates salient case studies illustrating how to apply the methods outlined in the book Tackles the complex relationship between proteins from a systems biology point of view Relates the topic to other emerging technologies such as data mining and visualization Includes many tables and illustrations demonstrating concepts and performance figures Algorithmic and Artificial Intelligence Methods for Protein Bioinformatics is an essential reference for bioinformatics specialists in research and industry, and for anyone wishing to better understand the rich field of protein bioinformatics.

Download or read book Practical Bioinformatics written by Janusz M. Bujnicki and published by Springer. This book was released on 2007-09-12 with total page 275 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book presents applications of bioinformatics tools that experimental research scientists use in "daily practice." Its interdisciplinary approach combines computational and experimental methods to solve scientific problems. The book begins with reviews of computational methods for protein sequence-structure-function analysis, followed by methods that use experimental data obtained in the laboratory to improve functional predictions.

Download or read book Proteome Bioinformatics written by Simon J. Hubbard and published by Humana Press. This book was released on 2009-12-23 with total page 404 pages. Available in PDF, EPUB and Kindle. Book excerpt: The feld of proteomics moves rapidly. New methods, techniques, applications, standards, models and software appear almost on a daily basis. Accompanying this are plenty of texts on the experimental side of the feld and a few appearing on the informatic and data analysis side. This latterly includes one in the Methods in Molecular Biology series tackling the specifc analysis of “Mass spectrometry data in proteomics” in MMB vol. 376. This current collection builds on this, but takes a broader view of proteome data analysis covering data analysis essentials, but also the databases and data models, as well as practical consid- ations for analysing database search results, annotating genomes, and speeding up searches. It also digs deeper into some topics, such as decoy database searching and aspects of signal processing in proteomic mass spectrometry. The aim of the volume is to provide the reader with a mix of reviews and methodology chapters, which build from the essentials of database searching in proteomics, on through specifc data processing challenges to databases, data standards and data models.

Download or read book Proteomics Data Analysis written by Daniela Cecconi and published by . This book was released on 2021 with total page 326 pages. Available in PDF, EPUB and Kindle. Book excerpt: This thorough book collects methods and strategies to analyze proteomics data. It is intended to describe how data obtained by gel-based or gel-free proteomics approaches can be inspected, organized, and interpreted to extrapolate biological information. Organized into four sections, the volume explores strategies to analyze proteomics data obtained by gel-based approaches, different data analysis approaches for gel-free proteomics experiments, bioinformatic tools for the interpretation of proteomics data to obtain biological significant information, as well as methods to integrate proteomics data with other omics datasets including genomics, transcriptomics, metabolomics, and other types of data. Written for the highly successful Methods in Molecular Biology series, chapters include the kind of detailed implementation advice that will ensure high quality results in the lab. Authoritative and practical, Proteomics Data Analysis serves as an ideal guide to introduce researchers, both experienced and novice, to new tools and approaches for data analysis to encourage the further study of proteomics.

Download or read book Using Peak Intensity and Fragmentation Patterns in Peptide SeQuence IDentification SQID A Bayesian Learning Algorithm for Tandem Mass Spectra written by Ji Li and published by . This book was released on 2006 with total page 1146 pages. Available in PDF, EPUB and Kindle. Book excerpt: As DNA sequence information becomes increasingly available, researchers are now tackling the great challenge of characterizing and identifying peptides and proteins from complex mixtures. Automatic database searching algorithms have been developed to meet this challenge. This dissertation is aimed at improving these algorithms to achieve more accurate and efficient peptide and protein identification with greater confidence by incorporating peak intensity information and peptide cleavage patterns obtained in gas-phase ion dissociation research. The underlying hypothesis is that these algorithms can benefit from knowledge about molecular level fragmentation behavior of particular amino acid residues or residue combinations. SeQuence IDentification (SQID), developed in this dissertation research, is a novel Bayesian learning-based method that attempts to incorporate intensity information from peptide cleavage patterns in a database searching algorithm. It directly makes use of the estimated peak intensity distributions for cleavage at amino acid pairs, derived from probability histograms generated from experimental MS/MS spectra. Rather than assuming amino acid cleavage patterns artificially or disregarding intensity information, SQID aims to take advantage of knowledge of observed fragmentation intensity behavior. In addition, SQID avoids the generation of a theoretical spectrum predication for each candidate sequence, needed by other sequencing methods including SEQUEST. As a result, computational efficiency is significantly improved. Extensive testing has been performed to evaluate SQID, by using datasets from the Pacific Northwest National Laboratory, University of Colorado, and the Institute for Systems Biology. The computational results show that by incorporating peak intensity distribution information, the program's ability to distinguish the correct peptides from incorrect matches is greatly enhanced. This observation is consistent with experiments involving various peptides and searches against larger databases with distraction proteins, which indirectly verifies that peptide dissociation behaviors determine the peptide sequencing and protein identification in MS/MS. Furthermore, testing SQID by using previously identified clusters of spectra associated with unique chemical structure motifs leads to the following conclusions: (1) the improvement in identification confidence is observed with a range of peptides displaying different fragmentation behaviors; (2) the magnitude of improvement is in agreement with the peptide cleavage selectivity, that is, more significant improvements are observed with more selective peptide cleavages.

Download or read book Molecular Bioinformatics written by Steffen Schulze-Kremer and published by Walter de Gruyter. This book was released on 1996 with total page 324 pages. Available in PDF, EPUB and Kindle. Book excerpt: