Computational Structural Biology

Author : Torsten Schwede
Publisher : World Scientific
Page : 790 pages
File Size : 52,5 Mb
Release : 2008
Category : Science
ISBN : 9789812778789

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Computational Structural Biology by Torsten Schwede Pdf

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.

Author : Manuel Claude Peitsch
Publisher : World Scientific
Page : 790 pages
File Size : 51,5 Mb
Release : 2008
Category : Science
ISBN : 9789812778772

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Computational Structural Biology by Manuel Claude Peitsch Pdf

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 : Anonim
Publisher : Unknown
Page : 128 pages
File Size : 54,5 Mb
Release : 2024-06-03
Category : Electronic
ISBN : 9789814472418

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Computational Structural Biology by Anonim Pdf

Author : Anonim
Publisher : Unknown
Page : 128 pages
File Size : 41,5 Mb
Release : 2024-06-03
Category : Electronic
ISBN : 9789814475754

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Lecture Notes on Computational Structural Biology by Anonim Pdf

Author : Bruce R. Donald
Publisher : MIT Press
Page : 497 pages
File Size : 54,9 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 : Tanmoy Chakraborty,Prabhat Ranjan,Anand Pandey
Publisher : CRC Press
Page : 394 pages
File Size : 55,7 Mb
Release : 2017-10-03
Category : Science
ISBN : 9781351800365

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Computational Chemistry Methodology in Structural Biology and Materials Sciences by Tanmoy Chakraborty,Prabhat Ranjan,Anand Pandey Pdf

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 : Jean-Paul Renaud
Publisher : John Wiley & Sons
Page : 1367 pages
File Size : 42,6 Mb
Release : 2020-01-09
Category : Medical
ISBN : 9781118900505

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Structural Biology in Drug Discovery by Jean-Paul Renaud Pdf

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 : Anonim
Publisher : Academic Press
Page : 152 pages
File Size : 52,8 Mb
Release : 2018-08-24
Category : Science
ISBN : 9780128139172

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Computational Molecular Modelling in Structural Biology by Anonim Pdf

Computational Molecular modelling in Structural Biology, Volume 113, the latest release in the Advances in Protein Chemistry and Structural Biology, highlights new advances in the field, with this new volume presenting interesting chapters on charting the Bromodomain BRD4: Towards the Identification of Novel Inhibitors with Molecular Similarity and Receptor Mapping, and Computational Methods to Discover Compounds for the Treatment of Chagas Disease. Provides the authority and expertise of leading contributors from an international board of authors Presents the latest release in the Advances in Protein Chemistry and Structural Biology series Updated, with the latest information on Computational Molecular Modelling in Structural Biology

Author : Zhijun Wu
Publisher : World Scientific
Page : 243 pages
File Size : 49,7 Mb
Release : 2008
Category : Science
ISBN : 9789812705891

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Lecture Notes on Computational Structural Biology by Zhijun Wu Pdf

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.

Author : Forbes J. Burkowski
Publisher : CRC Press
Page : 429 pages
File Size : 50,9 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 : H.O. Villar
Publisher : Elsevier
Page : 267 pages
File Size : 41,7 Mb
Release : 1996-05-31
Category : Science
ISBN : 008052611X

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Advances in Computational Biology by H.O. Villar Pdf

The second volume in a series which aims to focus on advances in computational biology. This volume discusses such topics as: statistical analysis of protein sequences; progress in large-scale sequence analysis; and the architecture of loops in proteins.

Author : Zhijun Wu
Publisher : World Scientific
Page : 243 pages
File Size : 47,9 Mb
Release : 2008
Category : Science
ISBN : 9789812814784

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Lecture Notes on Computational Structural Biology by Zhijun Wu Pdf

1. Introduction. 1.1. Protein structure. 1.2. Structure determination. 1.3. Dynamics simulation. 1.4. The myth of protein folding -- 2. X-ray crystallography computing. 2.1. The phase problem. 2.2. Least squares solutions. 2.3. Entropy maximization. 2.4. Indirect methods -- 3. NMR structure determination. 3.1. Nuclear magnetic resonance. 3.2. Distance geometry. 3.3. Distance-based modeling. 3.4. Structural analysis -- 4. Potential energy minimization. 4.1. Potential energy function. 4.2. Local optimization. 4.3. Global optimization. 4.4. Energy transformation -- 5. Molecular dynamics simulation. 5.1. Equations of motion. 5.2. Initial-value problem. 5.3. Boundary-value problem. 5.4. Normal mode analysis -- 6. Knowledge-based protein modeling. 6.1. Sequence/structural alignment. 6.2. Fold recognition/inverse folding. 6.3. Knowledge-based structural refinement. 6.4. Structural computing and beyond

Author : James M. Bower,Hamid Bolouri
Publisher : MIT Press
Page : 386 pages
File Size : 47,8 Mb
Release : 2001
Category : Computers
ISBN : 0262524236

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Computational Modeling of Genetic and Biochemical Networks by James M. Bower,Hamid Bolouri Pdf

How new modeling techniques can be used to explore functionally relevant molecular and cellular relationships.

Author : A.K. Konopka,M. James C. Crabbe
Publisher : CRC Press
Page : 572 pages
File Size : 49,9 Mb
Release : 2004-08-30
Category : Mathematics
ISBN : 9780203021415

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Compact Handbook of Computational Biology by A.K. Konopka,M. James C. Crabbe Pdf

The assimilation of computational methods into the life sciences has played an important role in advancing biological research. From sequencing genomes to discovering motifs in large collections of functionally equivalent sequences of nucleic acids and proteins, the value of powerful computational tools has become abundantly clear. The Compact Hand

Author : Subrata Pal
Publisher : Academic Press
Page : 518 pages
File Size : 50,5 Mb
Release : 2019-08-13
Category : Science
ISBN : 9780128148563

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Fundamentals of Molecular Structural Biology by Subrata Pal Pdf

Fundamentals of Molecular Structural Biology reviews the mathematical and physical foundations of molecular structural biology. Based on these fundamental concepts, it then describes molecular structure and explains basic genetic mechanisms. Given the increasingly interdisciplinary nature of research, early career researchers and those shifting into an adjacent field often require a "fundamentals" book to get them up-to-speed on the foundations of a particular field. This book fills that niche. Provides a current and easily digestible resource on molecular structural biology, discussing both foundations and the latest advances Addresses critical issues surrounding macromolecular structures, such as structure-based drug discovery, single-particle analysis, computational molecular biology/molecular dynamic simulation, cell signaling and immune response, macromolecular assemblies, and systems biology Presents discussions that ultimately lead the reader toward a more detailed understanding of the basis and origin of disease