Mathematical Approaches to Biomolecular Structure and Dynamics
Mathematical Approaches to Biomolecular Structure and Dynamics

Author: Jill P. Mesirov

Publisher: Springer Science & Business Media

Published: 2012-12-06

Total Pages: 258

ISBN-13: 1461240662

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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.

Mathematical Approaches to Biomolecular Structure and Dynamics
Mathematical Approaches to Biomolecular Structure and Dynamics

Author: Jill P. Mesirov

Publisher: Springer Science & Business Media

Published: 1996-08-29

Total Pages: 270

ISBN-13: 9780387948386

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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.

Mathematical Approaches to Molecular Structural Biology
Mathematical Approaches to Molecular Structural Biology

Author: Subrata Pal

Publisher: Elsevier

Published: 2022-11-19

Total Pages: 311

ISBN-13: 032390663X

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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

Mathematics in Industrial Problems
Mathematics in Industrial Problems

Author: Avner Friedman

Publisher: Springer Science & Business Media

Published: 2012-12-06

Total Pages: 201

ISBN-13: 1461218586

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This is the eighth volume in the series "Mathematics in Industrial Prob lems." The motivation for these volumes is to foster interaction between Industry and Mathematics at the "grass roots level"; that is, at the level of specific problems. These problems come from Industry: they arise from models developed by the industrial scientists in ventures directed at the manufacture of new or improved products. At the same time, these prob lems have the potential for mathematical challenge and novelty. To identify such problems, I have visited industries and had discussions with their scientists. Some of the scientists have subsequently presented their problems in the IMA Seminar on Industrial Problems. The book is based on the seminar presentations and on questions raised in subsequent discussions. Each chapter is devoted to one of the talks and is self-contained. The chapters usually provide references to the mathematical literature and a list of open problems that are of interest to industrial scientists. For some problems, a partial solution is indicated briefly. The last chapter of the book contains a short description of solutions to some of the problems raised in the previous volume, as well as references to papers in which such solutions have been published.

Error Control and Adaptivity in Scientific Computing
Error Control and Adaptivity in Scientific Computing

Author: Haydar Bulgak

Publisher: Springer Science & Business Media

Published: 1999-06-30

Total Pages: 376

ISBN-13: 9780792358091

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One of the main ways by which we can understand complex processes is to create computerised numerical simulation models of them. Modern simulation tools are not used only by experts, however, and reliability has therefore become an important issue, meaning that it is not sufficient for a simulation package merely to print out some numbers, claiming them to be the desired results. An estimate of the associated error is also needed. The errors may derive from many sources: errors in the model, errors in discretization, rounding errors, etc. Unfortunately, this situation does not obtain for current packages and there is a great deal of room for improvement. Only if the error can be estimated is it possible to do something to reduce it. The contributions in this book cover many aspects of the subject, the main topics being error estimates and error control in numerical linear algebra algorithms (closely related to the concept of condition numbers), interval arithmetic and adaptivity for continuous models.

The Mathematics of Information Coding, Extraction and Distribution
The Mathematics of Information Coding, Extraction and Distribution

Author: George Cybenko

Publisher: Springer Science & Business Media

Published: 2012-12-06

Total Pages: 142

ISBN-13: 1461215242

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High performance computing consumes and generates vast amounts of data, and the storage, retrieval, and transmission of this data are major obstacles to effective use of computing power. Challenges inherent in all of these operations are security, speed, reliability, authentication and reproducibility. This workshop focused on a wide variety of technical results aimed at meeting these challenges. Topics ranging from the mathematics of coding theory to the practicalities of copyright preservation for Internet resources drew spirited discussion and interaction among experts in diverse but related fields. We hope this volume contributes to continuing this dialogue.

Molecular Modeling and Simulation
Molecular Modeling and Simulation

Author: Tamar Schlick

Publisher: Springer Science & Business Media

Published: 2013-04-18

Total Pages: 669

ISBN-13: 0387224645

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Very broad overview of the field intended for an interdisciplinary audience; Lively discussion of current challenges written in a colloquial style; Author is a rising star in this discipline; Suitably accessible for beginners and suitably rigorous for experts; Features extensive four-color illustrations; Appendices featuring homework assignments and reading lists complement the material in the main text

Topology and Geometry in Polymer Science
Topology and Geometry in Polymer Science

Author: Stuart G. Whittington

Publisher: Springer Science & Business Media

Published: 2012-12-06

Total Pages: 209

ISBN-13: 1461217121

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This IMA Volume in Mathematics and its Applications TOPOLOGY AND GEOMETRY IN POLYMER SCIENCE is based on the proceedings of a very successful one-week workshop with the same title. This workshop was an integral part of the 1995-1996 IMA program on "Mathematical Methods in Materials Science." We would like to thank Stuart G. Whittington, De Witt Sumners, and Timothy Lodge for their excellent work as organizers of the meeting and for editing the proceedings. We also take this opportunity to thank the National Science Foun dation (NSF), the Army Research Office (ARO) and the Office of Naval Research (ONR), whose financial support made the workshop possible. A vner Friedman Robert Gulliver v PREFACE This book is the product of a workshop on Topology and Geometry of Polymers, held at the IMA in June 1996. The workshop brought together topologists, combinatorialists, theoretical physicists and polymer scientists, who share an interest in characterizing and predicting the microscopic en tanglement properties of polymers, and their effect on macroscopic physical properties.

Computational Molecular Dynamics: Challenges, Methods, Ideas
Computational Molecular Dynamics: Challenges, Methods, Ideas

Author: Peter Deuflhard

Publisher: Springer Science & Business Media

Published: 2012-12-06

Total Pages: 500

ISBN-13: 3642583601

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On May 21-24, 1997 the Second International Symposium on Algorithms for Macromolecular Modelling was held at the Konrad Zuse Zentrum in Berlin. The event brought together computational scientists in fields like biochemistry, biophysics, physical chemistry, or statistical physics and numerical analysts as well as computer scientists working on the advancement of algorithms, for a total of over 120 participants from 19 countries. In the course of the symposium, the speakers agreed to produce a representative volume that combines survey articles and original papers (all refereed) to give an impression of the present state of the art of Molecular Dynamics. The 29 articles of the book reflect the main topics of the Berlin meeting which were i) Conformational Dynamics, ii) Thermodynamic Modelling, iii) Advanced Time-Stepping Algorithms, iv) Quantum-Classical Simulations and Fast Force Field and v) Fast Force Field Evaluation.

Essays on Mathematical Robotics
Essays on Mathematical Robotics

Author: John Baillieul

Publisher: Springer Science & Business Media

Published: 2012-12-06

Total Pages: 382

ISBN-13: 1461217105

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The chapters in this book present an excellent exposition of recent developments in both robotics and nonlinear control centering around "hyper-redundancy", highly oscillatory inputs, optimal control, exterior differential systems, and the use of generic loops. The principal topics covered in the book are: adaptive control for a class of nonlinear systems, event-based motion planning, nonlinear control synthesis and path planning in robotics with special emphasis on nonholonomic and "hyper-redundant" robotic systems, control design and stabilization of driftless affine control systems (of the type arising in the kinematic control of nonholonomic robotic systems), control design methods for Hamiltonian systems and exterior differential systems. The chapter covering exterior differential systems contains a detailed introduction to the use of exterior differential methods, including the Goursat and extended Goursat normal forms and their application to path planning for nonholonomic systems.