Computational Structural Biology

Computational Structural Biology
Title Computational Structural Biology PDF eBook
Author Torsten Schwede
Publisher World Scientific
Total Pages 790
Release 2008
Genre Science
ISBN 9812778780

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This is a comprehensive introduction to Landau-Lifshitz equations and Landau-Lifshitz-Maxwell equations, beginning with the work by Yulin Zhou and Boling Guo in the early 1980s and including most of the work done by this Chinese group led by Zhou and Guo since. The book focuses on aspects such as the existence of weak solutions in multi dimensions, existence and uniqueness of smooth solutions in one dimension, relations with harmonic map heat flows, partial regularity and long time behaviors. The book is a valuable reference book for those who are interested in partial differential equations, geometric analysis and mathematical physics. It may also be used as an advanced textbook by graduate students in these fields.

Algorithms in Structural Molecular Biology

Algorithms in Structural Molecular Biology
Title Algorithms in Structural Molecular Biology PDF eBook
Author Bruce R. Donald
Publisher MIT Press
Total Pages 497
Release 2023-08-15
Genre Science
ISBN 0262548798

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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.

Computational Structural Biology

Computational Structural Biology
Title Computational Structural Biology PDF eBook
Author Manuel Claude Peitsch
Publisher World Scientific
Total Pages 790
Release 2008
Genre Science
ISBN 9812778772

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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.

Lecture Notes on Computational Structural Biology

Lecture Notes on Computational Structural Biology
Title Lecture Notes on Computational Structural Biology PDF eBook
Author
Publisher
Total Pages
Release
Genre
ISBN 9814475750

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Structural Bioinformatics

Structural Bioinformatics
Title Structural Bioinformatics PDF eBook
Author Forbes J. Burkowski
Publisher CRC Press
Total Pages 444
Release 2008-10-30
Genre Computers
ISBN 1420011790

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The Beauty of Protein Structures and the Mathematics behind Structural BioinformaticsProviding 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 Biolog

Structural Biology in Drug Discovery

Structural Biology in Drug Discovery
Title Structural Biology in Drug Discovery PDF eBook
Author Jean-Paul Renaud
Publisher John Wiley & Sons
Total Pages 1367
Release 2020-01-09
Genre Medical
ISBN 1118900502

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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

Computational Structural Biology

Computational Structural Biology
Title Computational Structural Biology PDF eBook
Author
Publisher
Total Pages
Release
Genre
ISBN 9814472417

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