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Author : Manuel Claude Peitsch
Publisher : World Scientific
Page : 790 pages
File Size : 18,45 MB
Release : 2008
Category : Science
ISBN : 9812778772
This work covers the impact of computational structural biology on protein structure prediction methods, macromolecular function and protein design, and key methods in drug discovery. It also addresses the computational challenges of experimental approaches in structural biology.
Author : Timir Tripathi
Publisher : Academic Press
Page : 716 pages
File Size : 45,72 MB
Release : 2022-01-14
Category : Science
ISBN : 0323902650
Advances in Protein Molecular and Structural Biology Methods offers a complete overview of the latest tools and methods applicable to the study of proteins at the molecular and structural level. The book begins with sections exploring tools to optimize recombinant protein expression and biophysical techniques such as fluorescence spectroscopy, NMR, mass spectrometry, cryo-electron microscopy, and X-ray crystallography. It then moves towards computational approaches, considering structural bioinformatics, molecular dynamics simulations, and deep machine learning technologies. The book also covers methods applied to intrinsically disordered proteins (IDPs)followed by chapters on protein interaction networks, protein function, and protein design and engineering. It provides researchers with an extensive toolkit of methods and techniques to draw from when conducting their own experimental work, taking them from foundational concepts to practical application. Presents a thorough overview of the latest and emerging methods and technologies for protein study Explores biophysical techniques, including nuclear magnetic resonance, X-ray crystallography, and cryo-electron microscopy Includes computational and machine learning methods Features a section dedicated to tools and techniques specific to studying intrinsically disordered proteins
Author : Torsten Schwede
Publisher : World Scientific
Page : 790 pages
File Size : 20,62 MB
Release : 2008-05-02
Category : Science
ISBN : 9814472417
Computational structural biology has made tremendous progress over the last two decades, and this book provides a recent and broad overview of such computational methods in structural biology. It covers the impact of computational structural biology on protein structure prediction methods, macromolecular function and protein design, and key methods in drug discovery. It also addresses the computational challenges of experimental approaches in structural biology. In addition to reviewing the current state of computational structural biology, each chapter ends with a brief, visionary discussion on the future outlook, whereby the main challenges for the coming years are elucidated. Written by an international panel of expert contributors, this book can serve as a reference manual for students and practitioners alike.
Author : Srinivas Aluru
Publisher : CRC Press
Page : 1108 pages
File Size : 44,49 MB
Release : 2005-12-21
Category : Computers
ISBN : 1420036270
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 : Jean-Paul Renaud
Publisher : John Wiley & Sons
Page : 1367 pages
File Size : 43,34 MB
Release : 2020-01-09
Category : Medical
ISBN : 1118900502
With the most comprehensive and up-to-date overview of structure-based drug discovery covering both experimental and computational approaches, Structural Biology in Drug Discovery: Methods, Techniques, and Practices describes principles, methods, applications, and emerging paradigms of structural biology as a tool for more efficient drug development. Coverage includes successful examples, academic and industry insights, novel concepts, and advances in a rapidly evolving field. The combined chapters, by authors writing from the frontlines of structural biology and drug discovery, give readers a valuable reference and resource that: Presents the benefits, limitations, and potentiality of major techniques in the field such as X-ray crystallography, NMR, neutron crystallography, cryo-EM, mass spectrometry and other biophysical techniques, and computational structural biology Includes detailed chapters on druggability, allostery, complementary use of thermodynamic and kinetic information, and powerful approaches such as structural chemogenomics and fragment-based drug design Emphasizes the need for the in-depth biophysical characterization of protein targets as well as of therapeutic proteins, and for a thorough quality assessment of experimental structures Illustrates advances in the field of established therapeutic targets like kinases, serine proteinases, GPCRs, and epigenetic proteins, and of more challenging ones like protein-protein interactions and intrinsically disordered proteins
Author : David Davies
Publisher : Springer Science & Business Media
Page : 528 pages
File Size : 24,32 MB
Release : 2013-03-09
Category : Science
ISBN : 1468442201
Structural biology is undergoing a revolution in both the sophistication of new biophysical methods and the complexity of problems in biomolecular structure and organization opened up for study. These changes are directly attributable to major advances in computer technology, computational methods, development of high intensity synchrotron radiation sources, new magnetic resonance methods, laser optical techniques, etc. Structure-function problems previously considered intractable may now be solved. As this area of specialisation continues to expand, there is a need to review the various physical methods currently being used and developed in struc tural molecular biology. At the same time that individual techniques and their applications become more specialized, the need for effect ive communication between investigators gains in imperative. It is vital to forge links among sub-disciplines and to emphasise the complementary nature of results observed by different biophysical methods. This publication contains the review lectures given at a meeting on "Current Methods in Structural Molecular Biology" spon sored by NATO as an Advanced Study Institute and by FEBS ~s Advanced Course No. 78. The aim of the meeting was to bring together, in a teaching environment, students and specialists in diverse biophysical methodologies with the specific purpose of exploring, questioning and critically assessing the present and future state of biological structure research. The scientific content of the interdisciplinary Study Institute centred around three interrelated aspects; biophysical methods and instrumentation, their application to biological structure problems, and derivation of structural information and insights.
Author : Tanmoy Chakraborty
Publisher : CRC Press
Page : 346 pages
File Size : 45,12 MB
Release : 2017-10-03
Category : Science
ISBN : 1351800361
Computational Chemistry Methodology in Structural Biology and Materials Sciences provides a selection of new research in theoretical and experimental chemistry, focusing on topics in the materials science and biological activity. Part 1, on Computational Chemistry Methodology in Biological Activity, of the book emphasizes presents new developments in the domain of theoretical and computational chemistry and its applications to bioactive molecules. It looks at various aspects of density functional theory and other issues. Part 2, on Computational Chemistry Methodology in Materials Science, presents informative new research on computational chemistry as applied to materials science. The wide range of topics regarding the application of theoretical and experimental chemistry and materials science and biological domain will be valuable in the context of addressing contemporary research problems.
Author : Bruce R. Donald
Publisher : MIT Press
Page : 497 pages
File Size : 33,54 MB
Release : 2023-08-15
Category : Science
ISBN : 0262548798
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 : Limin Angela Liu
Publisher : IGI Global
Page : 0 pages
File Size : 16,73 MB
Release : 2011
Category : Computers
ISBN : 9781609604912
"This book offers information on the state-of-the-art development in the fields of computational biology and systems biology, presenting methods, tools, and applications of these fields by many leading experts around the globe"--Provided by publisher.
Author : Zhijun Wu
Publisher : World Scientific
Page : 243 pages
File Size : 39,50 MB
Release : 2008-06-11
Category : Science
ISBN : 9814475750
While the field of computational structural biology or structural bioinformatics is rapidly developing, there are few books with a relatively complete coverage of such diverse research subjects studied in the field as X-ray crystallography computing, NMR structure determination, potential energy minimization, dynamics simulation, and knowledge-based modeling. This book helps fill the gap by providing such a survey on all the related subjects. Comprising a collection of lecture notes for a computational structural biology course for the Program on Bioinformatics and Computational Biology at Iowa State University, the book is in essence a comprehensive summary of computational structural biology based on the author's own extensive research experience, and a review of the subject from the perspective of a computer scientist or applied mathematician. Readers will gain a deeper appreciation of the biological importance and mathematical novelty of the research in the field.