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Effective Optimization Algorithms For Fragment Assembly Based Protein Structure Prediction
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Book Synopsis Effective Optimization Algorithms for Fragment-Assembly Based Protein Structure Prediction by :
Download or read book Effective Optimization Algorithms for Fragment-Assembly Based Protein Structure Prediction written by and published by . This book was released on 2006 with total page 11 pages. Available in PDF, EPUB and Kindle. Book excerpt: Despite recent developments in protein structure prediction, an accurate new fold prediction algorithm remains elusive. One of the challenges facing current techniques is the size and complexity of the space containing possible structures for a query sequence. Traditionally, to explore this space fragment assembly approaches to new fold prediction have used stochastic optimization techniques. Here we examine deterministic algorithms for optimizing scoring functions in protein structure prediction. Two previously unused techniques are applied to the problem, called the Greedy algorithm and the Hill-climbing algorithm. The main difference between the two is that the latter implements a technique to overcome local minima. Experiments on a diverse set of 276 proteins show that the Hill-climbing algorithms consistently outperform existing approaches based on Simulated Annealing optimization (a traditional stochastic technique) in optimizing the root mean squared deviation (RMSD) between native and working structures.
Book Synopsis Computational Systems Bioinformatics - Proceedings Of The Conference Csb 2006 by : Peter Markstein
Download or read book Computational Systems Bioinformatics - Proceedings Of The Conference Csb 2006 written by Peter Markstein and published by World Scientific. This book was released on 2006-07-28 with total page 418 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume contains about 40 papers covering many of the latest developments in the fast-growing field of bioinformatics. The contributions span a wide range of topics, including computational genomics and genetics, protein function and computational proteomics, the transcriptome, structural bioinformatics, microarray data analysis, motif identification, biological pathways and systems, and biomedical applications. There are also abstracts from the keynote addresses and invited talks.The papers cover not only theoretical aspects of bioinformatics but also delve into the application of new methods, with input from computation, engineering and biology disciplines. This multidisciplinary approach to bioinformatics gives these proceedings a unique viewpoint of the field./a
Book Synopsis Computational Systems Bioinformatics by : Peter Markstein
Download or read book Computational Systems Bioinformatics written by Peter Markstein and published by Imperial College Press. This book was released on 2006 with total page 418 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume contains about 40 papers covering many of the latest developments in the fast-growing field of bioinformatics. The contributions span a wide range of topics, including computational genomics and genetics, protein function and computational proteomics, the transcriptome, structural bioinformatics, microarray data analysis, motif identification, biological pathways and systems, and biomedical applications. There are also abstracts from the keynote addresses and invited talks. The papers cover not only theoretical aspects of bioinformatics but also delve into the application of new methods, with input from computation, engineering and biology disciplines. This multidisciplinary approach to bioinformatics gives these proceedings a unique viewpoint of the field. Sample Chapter(s). Chapter 1: Exploring the Ocean''s Microbes: Sequencing the Seven Seas (122 KB). Contents: Exploring the Ocean''s Microbes: Sequencing the Seven Seas (M E Frazier et al.); Protein Network Comparative Genomics (T Ideker); Bioinformatics at Microsoft Research (S Mercer); Protein Fold Recognition Using Gradient Boost Algorithm (F Jiao et al.); Efficient Annotation of Non-Coding RNA Structures Including Pseudoknots via Automated Filters (C Liu et al.); Efficient Generalized Matrix Approximations for Biomarker Discovery and Visualization in Gene Expression Data (W Li et al.); Sorting Genomes by Translocations and Deletions (X Qi et al.); Detection of Cleavage Sites for HIV-1 Protease in Native Proteins (L You); Identifying Biological Pathways via Phase Decomposition and Profile Extraction (Y Zhang & Z Deng); Complexity and Scoring Function of MS/MS Peptide De Novo Sequencing (C Xu & B Ma); Simulating In Vitro Epithelial Morphogenesis in Multiple Environments (M R Grant et al.); and other papers. Readership: Research and application community in bioinformatics, systems biology, medicine, pharmacology and biotechnology. A useful reference for graduate researchers in bioinformatics and computational biology.
Book Synopsis Introduction to Protein Structure Prediction by : Huzefa Rangwala
Download or read book Introduction to Protein Structure Prediction written by Huzefa Rangwala and published by John Wiley & Sons. This book was released on 2011-03-16 with total page 611 pages. Available in PDF, EPUB and Kindle. Book excerpt: A look at the methods and algorithms used to predict protein structure A thorough knowledge of the function and structure of proteins is critical for the advancement of biology and the life sciences as well as the development of better drugs, higher-yield crops, and even synthetic bio-fuels. To that end, this reference sheds light on the methods used for protein structure prediction and reveals the key applications of modeled structures. This indispensable book covers the applications of modeled protein structures and unravels the relationship between pure sequence information and three-dimensional structure, which continues to be one of the greatest challenges in molecular biology. With this resource, readers will find an all-encompassing examination of the problems, methods, tools, servers, databases, and applications of protein structure prediction and they will acquire unique insight into the future applications of the modeled protein structures. The book begins with a thorough introduction to the protein structure prediction problem and is divided into four themes: a background on structure prediction, the prediction of structural elements, tertiary structure prediction, and functional insights. Within those four sections, the following topics are covered: Databases and resources that are commonly used for protein structure prediction The structure prediction flagship assessment (CASP) and the protein structure initiative (PSI) Definitions of recurring substructures and the computational approaches used for solving sequence problems Difficulties with contact map prediction and how sophisticated machine learning methods can solve those problems Structure prediction methods that rely on homology modeling, threading, and fragment assembly Hybrid methods that achieve high-resolution protein structures Parts of the protein structure that may be conserved and used to interact with other biomolecules How the loop prediction problem can be used for refinement of the modeled structures The computational model that detects the differences between protein structure and its modeled mutant Whether working in the field of bioinformatics or molecular biology research or taking courses in protein modeling, readers will find the content in this book invaluable.
Book Synopsis A Metaheuristic Approach to Protein Structure Prediction by : Nanda Dulal Jana
Download or read book A Metaheuristic Approach to Protein Structure Prediction written by Nanda Dulal Jana and published by Springer. This book was released on 2018-03-05 with total page 243 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book introduces characteristic features of the protein structure prediction (PSP) problem. It focuses on systematic selection and improvement of the most appropriate metaheuristic algorithm to solve the problem based on a fitness landscape analysis, rather than on the nature of the problem, which was the focus of methodologies in the past. Protein structure prediction is concerned with the question of how to determine the three-dimensional structure of a protein from its primary sequence. Recently a number of successful metaheuristic algorithms have been developed to determine the native structure, which plays an important role in medicine, drug design, and disease prediction. This interdisciplinary book consolidates the concepts most relevant to protein structure prediction (PSP) through global non-convex optimization. It is intended for graduate students from fields such as computer science, engineering, bioinformatics and as a reference for researchers and practitioners.
Book Synopsis Journal of the Royal Society Interface by :
Download or read book Journal of the Royal Society Interface written by and published by . This book was released on 2008 with total page 734 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Computational Methods for Protein Structure Prediction and Modeling by : Ying Xu
Download or read book Computational Methods for Protein Structure Prediction and Modeling written by Ying Xu and published by Springer Science & Business Media. This book was released on 2010-05-05 with total page 335 pages. Available in PDF, EPUB and Kindle. Book excerpt: Volume Two of this two-volume sequence presents a comprehensive overview of protein structure prediction methods and includes protein threading, De novo methods, applications to membrane proteins and protein complexes, structure-based drug design, as well as structure prediction as a systems problem. A series of appendices review the biological and chemical basics related to protein structure, computer science for structural informatics, and prerequisite mathematics and statistics.
Book Synopsis Constrained Optimization and Lagrange Multiplier Methods by : Dimitri P. Bertsekas
Download or read book Constrained Optimization and Lagrange Multiplier Methods written by Dimitri P. Bertsekas and published by Academic Press. This book was released on 2014-05-10 with total page 412 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computer Science and Applied Mathematics: Constrained Optimization and Lagrange Multiplier Methods focuses on the advancements in the applications of the Lagrange multiplier methods for constrained minimization. The publication first offers information on the method of multipliers for equality constrained problems and the method of multipliers for inequality constrained and nondifferentiable optimization problems. Discussions focus on approximation procedures for nondifferentiable and ill-conditioned optimization problems; asymptotically exact minimization in the methods of multipliers; duality framework for the method of multipliers; and the quadratic penalty function method. The text then examines exact penalty methods, including nondifferentiable exact penalty functions; linearization algorithms based on nondifferentiable exact penalty functions; differentiable exact penalty functions; and local and global convergence of Lagrangian methods. The book ponders on the nonquadratic penalty functions of convex programming. Topics include large scale separable integer programming problems and the exponential method of multipliers; classes of penalty functions and corresponding methods of multipliers; and convergence analysis of multiplier methods. The text is a valuable reference for mathematicians and researchers interested in the Lagrange multiplier methods.
Book Synopsis Application of Advanced Optimization Techniques for Healthcare Analytics by : Mohamed Abdel-Basset
Download or read book Application of Advanced Optimization Techniques for Healthcare Analytics written by Mohamed Abdel-Basset and published by CRC Press. This book was released on 2023-04-11 with total page 245 pages. Available in PDF, EPUB and Kindle. Book excerpt: Application of Advanced Optimization Techniques for Healthcare Analytics, 1st Edition, is an excellent compilation of current and advanced optimization techniques which can readily be applied to solve different hospital management problems. The healthcare system is currently a topic of significant investigation to make life easier for those who are disabled, old, or sick, as well as for young children. The emphasis of the healthcare system has evolved throughout time due to several emerging beneficial technologies, such as personal digital assistants (PDAs), data mining, the internet of things, metaheuristics, fog computing, and cloud computing. Metaheuristics are strong technology for tackling several optimization problems in various fields, especially healthcare systems. The primary advantage of metaheuristic algorithms is their ability to find a better solution to a healthcare problem and their ability to consume as little time as possible. In addition, metaheuristics are more flexible compared to several other optimization techniques. These algorithms are not related to a specific optimization problem but could be applied to any optimization problem by making some small adaptations to become suitable to tackle it. The successful outcome of this book will enable a decision-maker or practitioner to pick a suitable optimization approach when making decisions to schedule patients under crowding environments with minimized human errors.
Book Synopsis Searching for Molecular Solutions by : Ian S. Dunn
Download or read book Searching for Molecular Solutions written by Ian S. Dunn and published by John Wiley & Sons. This book was released on 2010-01-05 with total page 480 pages. Available in PDF, EPUB and Kindle. Book excerpt: A comprehensive look at empirical approaches to molecular discovery, their relationships with rational design, and the future of both Empirical methods of discovery, along with serendipitous and rational design approaches, have played an important role in human history. Searching for Molecular Solutions compares empirical discovery strategies for biologically useful molecules with serendipitous discovery and rational design, while also considering the strengths and limitations of empirical pathways to molecular discovery. Logically arranged, this text examines the different modes of molecular discovery, empha-sizing the historical and ongoing importance of empirical strategies. Along with a broad overview of the subject matter, Searching for Molecular Solutions explores: The differing modes of molecular discovery Biological precedents for evolutionary approaches Directed evolutionary methods and related areas Enzyme evolution and design Functional nucleic acid discovery Antibodies and other recognition molecules General aspects of molecular recognition Small molecule discovery approaches Rational molecular design The interplay between empirical and rational strategies and their ongoing roles in the future of molecular discovery Searching for Molecular Solutions covers several major areas of modern research, development, and practical applications of molecular sciences. This text offers empirical-rational principles of broad relevance to scientists, professionals, and students interested in general aspects of molecular discovery, as well as the thought processes behind experimental approaches.
Book Synopsis Protein Structure Prediction by : David Webster
Download or read book Protein Structure Prediction written by David Webster and published by Springer Science & Business Media. This book was released on 2008-02-03 with total page 425 pages. Available in PDF, EPUB and Kindle. Book excerpt: The number of protein sequences grows each year, yet the number of structures deposited in the Protein Data Bank remains relatively small. The importance of protein structure prediction cannot be overemphasized, and this volume is a timely addition to the literature in this field. Protein Structure Prediction: Methods and Protocols is a departure from the normal Methods in Molecular Biology series format. By its very nature, protein structure prediction demands that there be a greater mix of theoretical and practical aspects than is normally seen in this series. This book is aimed at both the novice and the experienced researcher who wish for detailed inf- mation in the field of protein structure prediction; a major intention here is to include important information that is needed in the day-to-day work of a research scientist, important information that is not always decipherable in scientific literature. Protein Structure Prediction: Methods and Protocols covers the topic of protein structure prediction in an eclectic fashion, detailing aspects of pred- tion that range from sequence analysis (a starting point for many algorithms) to secondary and tertiary methods, on into the prediction of docked complexes (an essential point in order to fully understand biological function). As this volume progresses, the authors contribute their expert knowledge of protein structure prediction to many disciplines, such as the identification of motifs and domains, the comparative modeling of proteins, and ab initio approaches to protein loop, side chain, and protein prediction.
Book Synopsis Protein-based Therapeutics by : Dev Bukhsh Singh
Download or read book Protein-based Therapeutics written by Dev Bukhsh Singh and published by Springer Nature. This book was released on 2023-03-01 with total page 387 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book provides an overview of the essential characteristics and clinical applications of therapeutic proteins against human diseases, including cancers, immune disorders, infections, and other diseases. It presents the latest advancements in protein engineering techniques for producing desirable therapeutic proteins. The book also covers the strategies used to formulate and deliver systemic therapeutic proteins, approved protein therapeutics and their targets, and pharmacogenetic biomarkers. Further, it discusses challenges associated with the clinical implications of therapeutic proteins, including safety, immunogenicity, protein stability, degradation, and efficacy. It illustrates the development of biosimilar antibodies, optimization strategies for producing biobetter antibodies, and presents fundamental concepts about biosuperior therapeutics. Lastly, it includes a discussion about protein-based vaccines against bacterial and viral infections.
Book Synopsis Pacific Symposium on Biocomputing 2004 by : Russ Altman
Download or read book Pacific Symposium on Biocomputing 2004 written by Russ Altman and published by World Scientific. This book was released on 2003 with total page 620 pages. Available in PDF, EPUB and Kindle. Book excerpt: The Pacific Symposium on Biocomputing (PSB 2004) is an international, multidisciplinary conference for the presentation and discussion of current research on the theory and application of computational methods in problems of biological significance. The rigorously peer-reviewed papers and presentations are collected in this archival proceedings volume. PSB is a forum for the presentation of work on databases, algorithms, interfaces, visualization, modeling and other computational methods, as applied to biological problems, with emphasis on applications in data-rich areas of molecular biology. PSB 2004 brings together top researchers from the US, the Asia-Pacific region and the rest of the world to exchange research findings and address open issues in all aspects of computational biology. The proceedings have been selected for coverage in: . OCo Biochemistry & Biophysics Citation IndexOao. OCo Index to Scientific & Technical Proceedings- (ISTP- / ISI Proceedings). OCo Index to Scientific & Technical Proceedings (ISTP CDROM version / ISI Proceedings)."
Book Synopsis Prediction of Protein Structures, Functions, and Interactions by : Janusz M. Bujnicki
Download or read book Prediction of Protein Structures, Functions, and Interactions written by Janusz M. Bujnicki and published by John Wiley & Sons. This book was released on 2008-12-23 with total page 302 pages. Available in PDF, EPUB and Kindle. Book excerpt: The growing flood of new experimental data generated by genome sequencing has provided an impetus for the development of automated methods for predicting the functions of proteins that have been deduced by sequence analysis and lack experimental characterization. Prediction of Protein Structures, Functions and Interactions presents a comprehensive overview of methods for prediction of protein structure or function, with the emphasis on their availability and possibilities for their combined use. Methods of modeling of individual proteins, prediction of their interactions, and docking of complexes are put in the context of predicting gene ontology (biological process, molecular function, and cellular component) and discussed in the light of their contribution to the emerging field of systems biology. Topics covered include: first steps of protein sequence analysis and structure prediction automated prediction of protein function from sequence template-based prediction of three-dimensional protein structures: fold-recognition and comparative modelling template-free prediction of three-dimensional protein structures quality assessment of protein models prediction of molecular interactions: from small ligands to large protein complexes macromolecular docking integrating prediction of structure, function, and interactions Prediction of Protein Structures, Functions and Interactions focuses on the methods that have performed well in CASPs, and which are constantly developed and maintained, and are freely available to academic researchers either as web servers or programs for local installation. It is an essential guide to the newest, best methods for prediction of protein structure and functions, for researchers and advanced students working in structural bioinformatics, protein chemistry, structural biology and drug discovery.
Book Synopsis Computational Science - ICCS 2007 by : Yong Shi
Download or read book Computational Science - ICCS 2007 written by Yong Shi and published by Springer. This book was released on 2007-07-14 with total page 1285 pages. Available in PDF, EPUB and Kindle. Book excerpt: Part of a four-volume set, this book constitutes the refereed proceedings of the 7th International Conference on Computational Science, ICCS 2007, held in Beijing, China in May 2007. The papers cover a large volume of topics in computational science and related areas, from multiscale physics to wireless networks, and from graph theory to tools for program development.
Book Synopsis Computational Optimization Algorithms for Protein Structure Refinement by : Debswapna Bhattacharya
Download or read book Computational Optimization Algorithms for Protein Structure Refinement written by Debswapna Bhattacharya and published by . This book was released on 2014 with total page 123 pages. Available in PDF, EPUB and Kindle. Book excerpt: Despite significant advancement being made during the recent past in predicting structure of proteins using computational methods, these techniques often cannot achieve sufficiently high level of accuracy to fully appreciate biological function and to serve as a reliable starting point for rational drug design efforts to develop novel therapeutics. Bringing these low-resolution models as close as possible to the native structure, called the protein structure refinement problem, however, has remained largely unsolved. Existing approaches in protein structure refinement suffer from two key challenges: (1) lack of consistency and (2) failure to produce meaningful degree of refinement. This thesis is composed of three major contributions. First, we propose a consistent and computationally efficient computational optimization protocol called 3Drefine. Next, we further improve the 3Drefine algorithm by developing an iterative version of the protocol, named i3Drefine. Finally, we present a novel conformation ensemble-based iterative refinement method, REFINEpro, aimed at producing pronounced degree of refinement. All of these methods were benchmarked in large-scale benchmark datasets and achieved consistent refinement in both global and local structural quality measures. In particular, i3Drefine was ranked as the best protein structure refinement server method in recent Critical Assessment of Protein Structure Prediction experiment. All of these methods are freely available to the scientific community in the form of software and web-servers.
Book Synopsis Biocomputing 2004 - Proceedings Of The Pacific Symposium by : A Keith Dunker
Download or read book Biocomputing 2004 - Proceedings Of The Pacific Symposium written by A Keith Dunker and published by World Scientific. This book was released on 2003-12-12 with total page 611 pages. Available in PDF, EPUB and Kindle. Book excerpt: The Pacific Symposium on Biocomputing (PSB 2004) is an international, multidisciplinary conference for the presentation and discussion of current research on the theory and application of computational methods in problems of biological significance. The rigorously peer-reviewed papers and presentations are collected in this archival proceedings volume.PSB is a forum for the presentation of work on databases, algorithms, interfaces, visualization, modeling and other computational methods, as applied to biological problems, with emphasis on applications in data-rich areas of molecular biology. PSB 2004 brings together top researchers from the US, the Asia-Pacific region and the rest of the world to exchange research findings and address open issues in all aspects of computational biology.The proceedings have been selected for coverage in:
