Algorithms In Structural Molecular Biology

Author : Bruce R. Donald
Publisher : MIT Press
Page : 497 pages
File Size : 42,8 Mb
Release : 2023-08-15
Category : Science
ISBN : 9780262548793

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Algorithms in Structural Molecular Biology by Bruce R. Donald Pdf

An overview of algorithms important to computational structural biology that addresses such topics as NMR and design and analysis of proteins.Using the tools of information technology to understand the molecular machinery of the cell offers both challenges and opportunities to computational scientists. Over the past decade, novel algorithms have been developed both for analyzing biological data and for synthetic biology problems such as protein engineering. This book explains the algorithmic foundations and computational approaches underlying areas of structural biology including NMR (nuclear magnetic resonance); X-ray crystallography; and the design and analysis of proteins, peptides, and small molecules. Each chapter offers a concise overview of important concepts, focusing on a key topic in the field. Four chapters offer a short course in algorithmic and computational issues related to NMR structural biology, giving the reader a useful toolkit with which to approach the fascinating yet thorny computational problems in this area. A recurrent theme is understanding the interplay between biophysical experiments and computational algorithms. The text emphasizes the mathematical foundations of structural biology while maintaining a balance between algorithms and a nuanced understanding of experimental data. Three emerging areas, particularly fertile ground for research students, are highlighted: NMR methodology, design of proteins and other molecules, and the modeling of protein flexibility. The next generation of computational structural biologists will need training in geometric algorithms, provably good approximation algorithms, scientific computation, and an array of techniques for handling noise and uncertainty in combinatorial geometry and computational biophysics. This book is an essential guide for young scientists on their way to research success in this exciting field.

Author : Mourad Elloumi,Albert Y. Zomaya
Publisher : John Wiley & Sons
Page : 1027 pages
File Size : 43,7 Mb
Release : 2011-04-04
Category : Science
ISBN : 9781118101988

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Algorithms in Computational Molecular Biology by Mourad Elloumi,Albert Y. Zomaya Pdf

This book represents the most comprehensive and up-to-date collection of information on the topic of computational molecular biology. Bringing the most recent research into the forefront of discussion, Algorithms in Computational Molecular Biology studies the most important and useful algorithms currently being used in the field, and provides related problems. It also succeeds where other titles have failed, in offering a wide range of information from the introductory fundamentals right up to the latest, most advanced levels of study.

Author : Nurit Haspel,Filip Jagodzinski,Kevin Molloy
Publisher : Springer Nature
Page : 120 pages
File Size : 42,7 Mb
Release : 2022-09-01
Category : Science
ISBN : 9783031059148

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Algorithms and Methods in Structural Bioinformatics by Nurit Haspel,Filip Jagodzinski,Kevin Molloy Pdf

The three-dimensional structure and function of molecules present many challenges and opportunities for developing an understanding of biological systems. With the increasing availability of molecular structures and the advancing accuracy of structure predictions and molecular simulations, the space for algorithmic advancement on many analytical and predictive problems is both broad and deep. To support this field, a rich set of methods and algorithms are available, addressing a variety of important problems such as protein-protein interactions, the effect of mutations on protein structure and function, and protein structure determination. Despite recent advancements in the field, in particular in protein folding with the development of AlphaFold, many problems still remain unsolved. In this book we focus on a number of topics in Structural Bioinformatics: Cryo-EM structural detection, protein conformational exploration, elucidation of molecular binding surface using geometry, the effect of mutations, insertions and deletions on protein structural stability, and protein-ligand binding.

Author : Forbes J. Burkowski
Publisher : CRC Press
Page : 429 pages
File Size : 40,8 Mb
Release : 2008-10-30
Category : Science
ISBN : 9781420011791

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Structural Bioinformatics by Forbes J. Burkowski Pdf

The Beauty of Protein Structures and the Mathematics behind Structural Bioinformatics Providing the framework for a one-semester undergraduate course, Structural Bioinformatics: An Algorithmic Approach shows how to apply key algorithms to solve problems related to macromolecular structure. Helps Students Go Further in Their Study of Structural Biology Following some introductory material in the first few chapters, the text solves the longest common subsequence problem using dynamic programming and explains the science models for the Nussinov and MFOLD algorithms. It then reviews sequence alignment, along with the basic mathematical calculations needed for measuring the geometric properties of macromolecules. After looking at how coordinate transformations facilitate the translation and rotation of molecules in a 3D space, the author introduces structural comparison techniques, superposition algorithms, and algorithms that compare relationships within a protein. The final chapter explores how regression and classification are becoming more useful in protein analysis and drug design. At the Crossroads of Biology, Mathematics, and Computer Science Connecting biology, mathematics, and computer science, this practical text presents various bioinformatics topics and problems within a scientific methodology that emphasizes nature (the source of empirical observations), science (the mathematical modeling of the natural process), and computation (the science of calculating predictions and mathematical objects based on mathematical models).

Author : Srinivas Aluru
Publisher : CRC Press
Page : 1108 pages
File Size : 54,5 Mb
Release : 2005-12-21
Category : Computers
ISBN : 9781420036275

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Handbook of Computational Molecular Biology by Srinivas Aluru Pdf

The enormous complexity of biological systems at the molecular level must be answered with powerful computational methods. Computational biology is a young field, but has seen rapid growth and advancement over the past few decades. Surveying the progress made in this multidisciplinary field, the Handbook of Computational Molecular Biology of

Author : Ben Raphael,Jijun Tang
Publisher : Springer
Page : 454 pages
File Size : 42,5 Mb
Release : 2012-08-29
Category : Computers
ISBN : 9783642331220

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Algorithms in Bioinformatics by Ben Raphael,Jijun Tang Pdf

This book constitutes the refereed proceedings of the 12th International Workshop on Algorithms in Bioinformatics, WABI 2012, held in Ljubljana, Slovenia, in September 2012. WABI 2012 is one of six workshops which, along with the European Symposium on Algorithms (ESA), constitute the ALGO annual meeting and focuses on algorithmic advances in bioinformatics, computational biology, and systems biology with a particular emphasis on discrete algorithms and machine-learning methods that address important problems in molecular biology. The 35 full papers presented were carefully reviewed and selected from 92 submissions. The papers include algorithms for a variety of biological problems including phylogeny, DNA and RNA sequencing and analysis, protein structure, and others.

Author : Steffen Schulze-Kremer
Publisher : Walter de Gruyter
Page : 324 pages
File Size : 52,6 Mb
Release : 1996
Category : Business & Economics
ISBN : 3110141132

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Molecular Bioinformatics by Steffen Schulze-Kremer Pdf

Author : Ion Mandoiu,Alexander Zelikovsky
Publisher : John Wiley & Sons
Page : 528 pages
File Size : 49,8 Mb
Release : 2008-02-25
Category : Computers
ISBN : 9780470097731

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Bioinformatics Algorithms by Ion Mandoiu,Alexander Zelikovsky Pdf

Presents algorithmic techniques for solving problems in bioinformatics, including applications that shed new light on molecular biology This book introduces algorithmic techniques in bioinformatics, emphasizing their application to solving novel problems in post-genomic molecular biology. Beginning with a thought-provoking discussion on the role of algorithms in twenty-first-century bioinformatics education, Bioinformatics Algorithms covers: General algorithmic techniques, including dynamic programming, graph-theoretical methods, hidden Markov models, the fast Fourier transform, seeding, and approximation algorithms Algorithms and tools for genome and sequence analysis, including formal and approximate models for gene clusters, advanced algorithms for non-overlapping local alignments and genome tilings, multiplex PCR primer set selection, and sequence/network motif finding Microarray design and analysis, including algorithms for microarray physical design, missing value imputation, and meta-analysis of gene expression data Algorithmic issues arising in the analysis of genetic variation across human population, including computational inference of haplotypes from genotype data and disease association search in case/control epidemiologic studies Algorithmic approaches in structural and systems biology, including topological and structural classification in biochemistry, and prediction of protein-protein and domain-domain interactions Each chapter begins with a self-contained introduction to a computational problem; continues with a brief review of the existing literature on the subject and an in-depth description of recent algorithmic and methodological developments; and concludes with a brief experimental study and a discussion of open research challenges. This clear and approachable presentation makes the book appropriate for researchers, practitioners, and graduate students alike.

Author : Huzefa Rangwala,George Karypis
Publisher : John Wiley & Sons
Page : 611 pages
File Size : 52,7 Mb
Release : 2011-03-16
Category : Science
ISBN : 9781118099469

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Introduction to Protein Structure Prediction by Huzefa Rangwala,George Karypis Pdf

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.

Author : Roderic Guigo,Dan Gusfield
Publisher : Springer Science & Business Media
Page : 564 pages
File Size : 52,8 Mb
Release : 2002-09-02
Category : Computers
ISBN : 9783540442110

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Algorithms in Bioinformatics by Roderic Guigo,Dan Gusfield Pdf

We are pleased to present the proceedings of the Second Workshop on Al- rithms in Bioinformatics (WABI 2002), which took place on September 17-21, 2002 in Rome, Italy. The WABI workshop was part of a three-conference me- ing, which, in addition to WABI, included the ESA and APPROX 2002. The three conferences are jointly called ALGO 2002, and were hosted by the F- ulty of Engineering, University of Rome “La Sapienza”. Seehttp://www.dis. uniroma1.it/ ̃algo02 for more details. The Workshop on Algorithms in Bioinformatics covers research in all areas of algorithmic work in bioinformatics and computational biology. The emphasis is on discrete algorithms that address important problems in molecular biology, genomics,andgenetics,thatarefoundedonsoundmodels,thatarecomputati- ally e?cient, and that have been implemented and tested in simulations and on real datasets. The goal is to present recent research results, including signi?cant work in progress, and to identify and explore directions of future research. Original research papers (including signi?cant work in progress) or sta- of-the-art surveys were solicited on all aspects of algorithms in bioinformatics, including, but not limited to: exact and approximate algorithms for genomics, genetics, sequence analysis, gene and signal recognition, alignment, molecular evolution, phylogenetics, structure determination or prediction, gene expression and gene networks, proteomics, functional genomics, and drug design.

Author : Pavel A. Pevzner
Publisher : Unknown
Page : 332 pages
File Size : 52,9 Mb
Release : 2004
Category : Algorithms
ISBN : 8120325508

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Computational Molecular Biology An Algorithmic Approach by Pavel A. Pevzner Pdf

Author : Jenny Gu,Philip E. Bourne
Publisher : John Wiley & Sons
Page : 1105 pages
File Size : 52,8 Mb
Release : 2011-09-20
Category : Science
ISBN : 9781118210567

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Structural Bioinformatics by Jenny Gu,Philip E. Bourne Pdf

Structural Bioinformatics was the first major effort to show the application of the principles and basic knowledge of the larger field of bioinformatics to questions focusing on macromolecular structure, such as the prediction of protein structure and how proteins carry out cellular functions, and how the application of bioinformatics to these life science issues can improve healthcare by accelerating drug discovery and development. Designed primarily as a reference, the first edition nevertheless saw widespread use as a textbook in graduate and undergraduate university courses dealing with the theories and associated algorithms, resources, and tools used in the analysis, prediction, and theoretical underpinnings of DNA, RNA, and proteins. This new edition contains not only thorough updates of the advances in structural bioinformatics since publication of the first edition, but also features eleven new chapters dealing with frontier areas of high scientific impact, including: sampling and search techniques; use of mass spectrometry; genome functional annotation; and much more. Offering detailed coverage for practitioners while remaining accessible to the novice, Structural Bioinformatics, Second Edition is a valuable resource and an excellent textbook for a range of readers in the bioinformatics and advanced biology fields. Praise for the previous edition: "This book is a gold mine of fundamental and practical information in an area not previously well represented in book form." —Biochemistry and Molecular Education "... destined to become a classic reference work for workers at all levels in structural bioinformatics...recommended with great enthusiasm for educators, researchers, and graduate students." —BAMBED "...a useful and timely summary of a rapidly expanding field." —Nature Structural Biology "...a terrific job in this timely creation of a compilation of articles that appropriately addresses this issue." —Briefings in Bioinformatics

Author : Minghua Deng,Rui Jiang,Fengzhu Sun,Xuegong Zhang
Publisher : Springer
Page : 346 pages
File Size : 48,6 Mb
Release : 2013-03-12
Category : Computers
ISBN : 9783642371950

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Research in Computational Molecular Biology by Minghua Deng,Rui Jiang,Fengzhu Sun,Xuegong Zhang Pdf

This book constitutes the refereed proceedings of the 17th Annual International Conference on Research in Computational Molecular Biology, RECOMB 2013, held in Beijing, China, in April 2013. The 32 revised full papers were carefully reviewed and selected from 167 submissions. The papers cover a wide range of topics including molecular sequence analysis; genes and regulatory elements; molecular evolution; gene expression; biological networks; sequencing and genotyping technologies; genomics; epigenomics; metagenomics; population, statistical genetics; systems biology; computational proteomics; computational structural biology; imaging; large-scale data management.

Author : Peter Clote,Rolf Backofen
Publisher : Wiley
Page : 304 pages
File Size : 41,6 Mb
Release : 2000-10-03
Category : Mathematics
ISBN : 0471872520

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Computational Molecular Biology by Peter Clote,Rolf Backofen Pdf

Recently molecular biology has undergone unprecedented development generating vast quantities of data needing sophisticated computational methods for analysis, processing and archiving. This requirement has given birth to the truly interdisciplinary field of computational biology, or bioinformatics, a subject reliant on both theoretical and practical contributions from statistics, mathematics, computer science and biology. * Provides the background mathematics required to understand why certain algorithms work * Guides the reader through probability theory, entropy and combinatorial optimization * In-depth coverage of molecular biology and protein structure prediction * Includes several less familiar algorithms such as DNA segmentation, quartet puzzling and DNA strand separation prediction * Includes class tested exercises useful for self-study * Source code of programs available on a Web site Primarily aimed at advanced undergraduate and graduate students from bioinformatics, computer science, statistics, mathematics and the biological sciences, this text will also interest researchers from these fields.

Author : Vineet Bafna,S. Cenk Sahinalp
Publisher : Springer
Page : 580 pages
File Size : 41,9 Mb
Release : 2011-03-24
Category : Computers
ISBN : 9783642200366

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Research in Computational Molecular Biology by Vineet Bafna,S. Cenk Sahinalp Pdf

This book constitutes the refereed proceedings of the 15th Annual International Conference on Research in Computational Molecular Biology, RECOMB 2011, held in Vancouver, Canada, in March 2011. The 43 revised full papers were carefully reviewed and selected from 153 submissions. The papers cover a wide range of topics including molecular sequence analysis; recognition of genes and regulatory elements; molecular evolution; gene expression; biological networks; sequencing and genotyping technologies; genomics; population, statistical genetics; systems biology; imaging; computational proteomics; molecular structural biology.