Mathematical Approaches To Molecular Structural Biology

Author : Subrata Pal
Publisher : Elsevier
Page : 311 pages
File Size : 55,8 Mb
Release : 2022-11-19
Category : Science
ISBN : 9780323906630

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Mathematical Approaches to Molecular Structural Biology by Subrata Pal Pdf

Mathematical Approaches to Molecular Structural Biology offers a comprehensive overview of the mathematical foundations behind the study of biomolecular structure. Initial chapters provide an introduction to the mathematics associated with the study of molecular structure, such as vector spaces and matrices, linear systems, matrix decomposition, vector calculus, probability and statistics. The book then moves on to more advanced areas of molecular structural biology based on the mathematical concepts discussed in earlier chapters. Here, key methods such as X-ray crystallography and cryo-electron microscopy are explored, in addition to biomolecular structure dynamics within the context of mathematics and physics. This book equips readers with an understanding of the fundamental principles behind structural biology, providing researchers with a strong groundwork for further investigation in both this and related fields. Includes a detailed introduction to key mathematical principles and their application to molecular structural biology Explores the mathematical underpinnings behind advanced techniques such as X-ray crystallography and Cryo-electron microscopy Features step-by-step protocols that illustrate mathematical and statistical principles for studying molecular structure and dynamics Provides a basis for further investigation into the field of computational molecular biology Includes figures and graphs throughout to visually demonstrate the concepts discussed

Author : Subrata Pal
Publisher : Academic Press
Page : 518 pages
File Size : 51,5 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

Author : Jill P Mesirov,Klaus Schulten,De Witt Sumners
Publisher : Unknown
Page : 268 pages
File Size : 48,7 Mb
Release : 1996-08-29
Category : Electronic
ISBN : 1461240670

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Mathematical Approaches to Biomolecular Structure and Dynamics by Jill P Mesirov,Klaus Schulten,De Witt Sumners Pdf

Author : Bruce R. Donald
Publisher : MIT Press
Page : 497 pages
File Size : 55,8 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 : Jill P. Mesirov,Klaus Schulten,De Witt Sumners
Publisher : Springer Science & Business Media
Page : 270 pages
File Size : 52,9 Mb
Release : 1996-08-29
Category : Science
ISBN : 0387948384

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Mathematical Approaches to Biomolecular Structure and Dynamics by Jill P. Mesirov,Klaus Schulten,De Witt Sumners Pdf

This IMA Volume in Mathematics and its Applications MATHEMATICAL APPROACHES TO BIOMOLECULAR STRUCTURE AND DYNAMICS is one of the two volumes based on the proceedings of the 1994 IMA Sum mer Program on "Molecular Biology" and comprises Weeks 3 and 4 of the four-week program. Weeks 1 and 2 appeared as Volume 81: Genetic Mapping and DNA Sequencing. We thank Jill P. Mesirov, Klaus Schulten, and De Witt Sumners for organizing Weeks 3 and 4 of the workshop and for editing the proceedings. We also take this opportunity to thank the National Institutes of Health (NIH) (National Center for Human Genome Research), the National Science Foundation (NSF) (Biological Instrumen tation and Resources), and the Department of Energy (DOE), whose fi nancial support made the summer program possible. A vner Friedman Robert Gulliver v PREFACE The revolutionary progress in molecular biology within the last 30 years opens the way to full understanding of the molecular structures and mech anisms of living organisms. Interdisciplinary research in mathematics and molecular biology is driven by ever growing experimental, theoretical and computational power. The mathematical sciences accompany and support much of the progress achieved by experiment and computation as well as provide insight into geometric and topological properties of biomolecular structure and processes. This volume consists of a representative sample of the papers presented during the last two weeks of the month-long Institute for Mathematics and Its Applications Summer 1994 Program in Molecular Biology.

Author : Torsten Schwede
Publisher : World Scientific
Page : 790 pages
File Size : 52,7 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 : Concettina Guerra,Sorin Istrail
Publisher : Springer Science & Business Media
Page : 161 pages
File Size : 51,8 Mb
Release : 2003-06-25
Category : Mathematics
ISBN : 9783540401049

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Mathematical Methods for Protein Structure Analysis and Design by Concettina Guerra,Sorin Istrail Pdf

The papers collected in this volume reproduce contributions by leading sch- arstoaninternationalschoolandworkshopwhichwasorganizedandheldwith thegoaloftakinga snapshotofadiscipline undertumultuous growth. Indeed, the area of protein folding, docking and alignment is developing in response to needs for a mix of heterogeneous expertise spanning biology, chemistry, mathematics, computer science, and statistics, among others. Some of the problems encountered in this area are not only important for the scienti?c challenges they pose, but also for the opportunities they disclose intermsofmedicalandindustrialexploitation. Atypicalexampleiso?eredby protein-drug interaction (docking), a problem posing daunting computational problems at the crossroads of geometry, physics and chemistry, and, at the same time, a problem with unimaginable implications for the pharmacopoeia of the future. The schoolfocused on problems posed by the study of the mechanisms - hind protein folding, and explored di?erent ways of attacking these problems under objective evaluations of the methods. Together with a relatively small core of consolidated knowledge and tools, important re?ections were brought to this e?ort by studies in a multitude of directions and approaches. It is obviously impossible to predict which, if any, among these techniques will prove completely successful, but it is precisely the implicit dialectic among them that best conveys the current ?avor of the ?eld. Such unique diversity and richness inspired the format of the meeting, and also explains the slight departure of the present volume from the typical format in this series: the exposition of the current sediment is complemented here by a selection of quali?ed specialized contributions.

Author : Forbes J. Burkowski
Publisher : CRC Press
Page : 429 pages
File Size : 52,7 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 : Matthew He,Sergey Petoukhov
Publisher : John Wiley & Sons
Page : 231 pages
File Size : 41,5 Mb
Release : 2011-03-16
Category : Computers
ISBN : 9781118099520

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Mathematics of Bioinformatics by Matthew He,Sergey Petoukhov Pdf

Mathematics of Bioinformatics: Theory, Methods, and Applications provides a comprehensive format for connecting and integrating information derived from mathematical methods and applying it to the understanding of biological sequences, structures, and networks. Each chapter is divided into a number of sections based on the bioinformatics topics and related mathematical theory and methods. Each topic of the section is comprised of the following three parts: an introduction to the biological problems in bioinformatics; a presentation of relevant topics of mathematical theory and methods to the bioinformatics problems introduced in the first part; an integrative overview that draws the connections and interfaces between bioinformatics problems/issues and mathematical theory/methods/applications.

Author : Nataša Jonoska,Masahico Saito
Publisher : Springer Science & Business Media
Page : 524 pages
File Size : 46,5 Mb
Release : 2013-12-23
Category : Computers
ISBN : 9783642401930

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Discrete and Topological Models in Molecular Biology by Nataša Jonoska,Masahico Saito Pdf

Theoretical tools and insights from discrete mathematics, theoretical computer science, and topology now play essential roles in our understanding of vital biomolecular processes. The related methods are now employed in various fields of mathematical biology as instruments to "zoom in" on processes at a molecular level. This book contains expository chapters on how contemporary models from discrete mathematics – in domains such as algebra, combinatorics, and graph and knot theories – can provide perspective on biomolecular problems ranging from data analysis, molecular and gene arrangements and structures, and knotted DNA embeddings via spatial graph models to the dynamics and kinetics of molecular interactions. The contributing authors are among the leading scientists in this field and the book is a reference for researchers in mathematics and theoretical computer science who are engaged with modeling molecular and biological phenomena using discrete methods. It may also serve as a guide and supplement for graduate courses in mathematical biology or bioinformatics, introducing nontraditional aspects of mathematical biology.

Author : Shiyi Shen
Publisher : Springer Science & Business Media
Page : 450 pages
File Size : 49,9 Mb
Release : 2008-01-26
Category : Science
ISBN : 9783540748915

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Theory and Mathematical Methods in Bioinformatics by Shiyi Shen Pdf

This monograph addresses, in a systematic and pedagogical manner, the mathematical methods and the algorithms required to deal with the molecularly based problems of bioinformatics. Prominent attention is given to pair-wise and multiple sequence alignment algorithms, stochastic models of mutations, modulus structure theory and protein configuration analysis. Strong links to the molecular structures of proteins, DNA and other biomolecules and their analyses are developed.

Author : Peter Clote,Rolf Backofen
Publisher : Wiley
Page : 304 pages
File Size : 46,8 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 : Gerda de Vries,Thomas Hillen,Mark Lewis,Johannes M?ller,Birgitt Sch?nfisch
Publisher : SIAM
Page : 307 pages
File Size : 50,5 Mb
Release : 2006-07-01
Category : Mathematics
ISBN : 9780898716122

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A Course in Mathematical Biology by Gerda de Vries,Thomas Hillen,Mark Lewis,Johannes M?ller,Birgitt Sch?nfisch Pdf

This is the only book that teaches all aspects of modern mathematical modeling and that is specifically designed to introduce undergraduate students to problem solving in the context of biology. Included is an integrated package of theoretical modeling and analysis tools, computational modeling techniques, and parameter estimation and model validation methods, with a focus on integrating analytical and computational tools in the modeling of biological processes. Divided into three parts, it covers basic analytical modeling techniques; introduces computational tools used in the modeling of biological problems; and includes various problems from epidemiology, ecology, and physiology. All chapters include realistic biological examples, including many exercises related to biological questions. In addition, 25 open-ended research projects are provided, suitable for students. An accompanying Web site contains solutions and a tutorial for the implementation of the computational modeling techniques. Calculations can be done in modern computing languages such as Maple, Mathematica, and MATLAB?.

Author : L. Ridgway Scott,Ariel Fernández
Publisher : Springer
Page : 290 pages
File Size : 40,8 Mb
Release : 2017-12-04
Category : Mathematics
ISBN : 9783319660325

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A Mathematical Approach to Protein Biophysics by L. Ridgway Scott,Ariel Fernández Pdf

This book explores quantitative aspects of protein biophysics and attempts to delineate certain rules of molecular behavior that make atomic scale objects behave in a digital way. This book will help readers to understand how certain biological systems involving proteins function as digital information systems despite the fact that underlying processes are analog in nature. The in-depth explanation of proteins from a quantitative point of view and the variety of level of exercises (including physical experiments) at the end of each chapter will appeal to graduate and senior undergraduate students in mathematics, computer science, mechanical engineering, and physics, wanting to learn about the biophysics of proteins. L. Ridgway Scott has been Professor of Computer Science and of Mathematics at the University of Chicago since 1998, and the Louis Block Professor since 2001. He obtained a B.S. degree (Magna Cum Laude) from Tulane University in 1969 and a PhD degree in Mathematics from the Massachusetts Institute of Technology in 1973. Professor Scott has published over 130 papers and three books, extending over biophysics, parallel computing and fundamental computing aspects of structural mechanics, fluid dynamics, nuclear engineering, and computational chemistry. Ariel Fernández (born Ariel Fernández Stigliano) is an Argentinian-American physical chemist and mathematician. He obtained his Ph. D. degree in Chemical Physics from Yale University and held the Karl F. Hasselmann Endowed Chair Professorship in Bioengineering at Rice University. He is currently involved in research and entrepreneurial activities at various consultancy firms. Ariel Fernández authored three books on translational medicine and biophysics, and published 360 papers in professional journals. He holds two patents in the field of biotechnology.

Author : Frank H. Stephenson
Publisher : Academic Press
Page : 460 pages
File Size : 55,8 Mb
Release : 2010-07-30
Category : Science
ISBN : 012375691X

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Calculations for Molecular Biology and Biotechnology by Frank H. Stephenson Pdf

Calculations for Molecular Biology and Biotechnology: A Guide to Mathematics in the Laboratory, Second Edition, provides an introduction to the myriad of laboratory calculations used in molecular biology and biotechnology. The book begins by discussing the use of scientific notation and metric prefixes, which require the use of exponents and an understanding of significant digits. It explains the mathematics involved in making solutions; the characteristics of cell growth; the multiplicity of infection; and the quantification of nucleic acids. It includes chapters that deal with the mathematics involved in the use of radioisotopes in nucleic acid research; the synthesis of oligonucleotides; the polymerase chain reaction (PCR) method; and the development of recombinant DNA technology. Protein quantification and the assessment of protein activity are also discussed, along with the centrifugation method and applications of PCR in forensics and paternity testing. Topics range from basic scientific notations to complex subjects like nucleic acid chemistry and recombinant DNA technology Each chapter includes a brief explanation of the concept and covers necessary definitions, theory and rationale for each type of calculation Recent applications of the procedures and computations in clinical, academic, industrial and basic research laboratories are cited throughout the text New to this Edition: Updated and increased coverage of real time PCR and the mathematics used to measure gene expression More sample problems in every chapter for readers to practice concepts