Theory and Applications of Distance Geometry PDF Download
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Author: Leonard Mascot Blumenthal
Publisher: Chelsea Publishing Company, Incorporated
ISBN:
Category : Mathematics
Languages : en
Pages : 392
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Book Description
Author: Leonard Mascot Blumenthal
Publisher: Chelsea Publishing Company, Incorporated
ISBN:
Category : Mathematics
Languages : en
Pages : 392
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Book Description
Author:
Publisher:
ISBN:
Category :
Languages : en
Pages : 347
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Book Description
Author: Antonio Mucherino
Publisher: Springer Science & Business Media
ISBN: 1461451280
Category : Mathematics
Languages : en
Pages : 436
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Book Description
This volume is a collection of research surveys on the Distance Geometry Problem (DGP) and its applications. It will be divided into three parts: Theory, Methods and Applications. Each part will contain at least one survey and several research papers. The first part, Theory, will deal with theoretical aspects of the DGP, including a new class of problems and the study of its complexities as well as the relation between DGP and other related topics, such as: distance matrix theory, Euclidean distance matrix completion problem, multispherical structure of distance matrices, distance geometry and geometric algebra, algebraic distance geometry theory, visualization of K-dimensional structures in the plane, graph rigidity, and theory of discretizable DGP: symmetry and complexity. The second part, Methods, will discuss mathematical and computational properties of methods developed to the problems considered in the first chapter including continuous methods (based on Gaussian and hyperbolic smoothing, difference of convex functions, semidefinite programming, branch-and-bound), discrete methods (based on branch-and-prune, geometric build-up, graph rigidity), and also heuristics methods (based on simulated annealing, genetic algorithms, tabu search, variable neighborhood search). Applications will comprise the third part and will consider applications of DGP to NMR structure calculation, rational drug design, molecular dynamics simulations, graph drawing and sensor network localization. This volume will be the first edited book on distance geometry and applications. The editors are in correspondence with the major contributors to the field of distance geometry, including important research centers in molecular biology such as Institut Pasteur in Paris.
Author: Leo Liberti
Publisher: Springer
ISBN: 3319607928
Category : Mathematics
Languages : en
Pages : 141
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Book Description
This textbook, the first of its kind, presents the fundamentals of distance geometry: theory, useful methodologies for obtaining solutions, and real world applications. Concise proofs are given and step-by-step algorithms for solving fundamental problems efficiently and precisely are presented in Mathematica®, enabling the reader to experiment with concepts and methods as they are introduced. Descriptive graphics, examples, and problems, accompany the real gems of the text, namely the applications in visualization of graphs, localization of sensor networks, protein conformation from distance data, clock synchronization protocols, robotics, and control of unmanned underwater vehicles, to name several. Aimed at intermediate undergraduates, beginning graduate students, researchers, and practitioners, the reader with a basic knowledge of linear algebra will gain an understanding of the basic theories of distance geometry and why they work in real life.
Author: Mark Andrew Hadwiger
Publisher:
ISBN:
Category : Molecular structure
Languages : en
Pages : 406
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Book Description
Author: Carlile Lavor
Publisher: Springer
ISBN: 3319571834
Category : Computers
Languages : en
Pages : 59
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Book Description
This book is a pedagogical presentation aimed at advanced undergraduate students, beginning graduate students and professionals who are looking for an introductory text to the field of Distance Geometry, and some of its applications. This versions profits from feedback acquired at undergraduate/graduate courses in seminars and a number of workshops.
Author: Abdo Y. Alfakih
Publisher: Springer
ISBN: 3319978462
Category : Mathematics
Languages : en
Pages : 251
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Book Description
This book offers a comprehensive and accessible exposition of Euclidean Distance Matrices (EDMs) and rigidity theory of bar-and-joint frameworks. It is based on the one-to-one correspondence between EDMs and projected Gram matrices. Accordingly the machinery of semidefinite programming is a common thread that runs throughout the book. As a result, two parallel approaches to rigidity theory are presented. The first is traditional and more intuitive approach that is based on a vector representation of point configuration. The second is based on a Gram matrix representation of point configuration. Euclidean Distance Matrices and Their Applications in Rigidity Theory begins by establishing the necessary background needed for the rest of the book. The focus of Chapter 1 is on pertinent results from matrix theory, graph theory and convexity theory, while Chapter 2 is devoted to positive semidefinite (PSD) matrices due to the key role these matrices play in our approach. Chapters 3 to 7 provide detailed studies of EDMs, and in particular their various characterizations, classes, eigenvalues and geometry. Chapter 8 serves as a transitional chapter between EDMs and rigidity theory. Chapters 9 and 10 cover local and universal rigidities of bar-and-joint frameworks. This book is self-contained and should be accessible to a wide audience including students and researchers in statistics, operations research, computational biochemistry, engineering, computer science and mathematics.
Author: Zhijun Wu
Publisher: World Scientific
ISBN: 9812814787
Category : Science
Languages : en
Pages : 243
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Book Description
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: Michel Marie Deza
Publisher: Springer
ISBN: 3662443422
Category : Mathematics
Languages : en
Pages : 731
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Book Description
This updated and revised third edition of the leading reference volume on distance metrics includes new items from very active research areas in the use of distances and metrics such as geometry, graph theory, probability theory and analysis. Among the new topics included are, for example, polyhedral metric space, nearness matrix problems, distances between belief assignments, distance-related animal settings, diamond-cutting distances, natural units of length, Heidegger’s de-severance distance, and brain distances. The publication of this volume coincides with intensifying research efforts into metric spaces and especially distance design for applications. Accurate metrics have become a crucial goal in computational biology, image analysis, speech recognition and information retrieval. Leaving aside the practical questions that arise during the selection of a ‘good’ distance function, this work focuses on providing the research community with an invaluable comprehensive listing of the main available distances. As well as providing standalone introductions and definitions, the encyclopedia facilitates swift cross-referencing with easily navigable bold-faced textual links to core entries. In addition to distances themselves, the authors have collated numerous fascinating curiosities in their Who’s Who of metrics, including distance-related notions and paradigms that enable applied mathematicians in other sectors to deploy research tools that non-specialists justly view as arcane. In expanding access to these techniques, and in many cases enriching the context of distances themselves, this peerless volume is certain to stimulate fresh research.
Author: William Kirk
Publisher: Springer
ISBN: 3319109278
Category : Mathematics
Languages : en
Pages : 176
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Book Description
This is a monograph on fixed point theory, covering the purely metric aspects of the theory–particularly results that do not depend on any algebraic structure of the underlying space. Traditionally, a large body of metric fixed point theory has been couched in a functional analytic framework. This aspect of the theory has been written about extensively. There are four classical fixed point theorems against which metric extensions are usually checked. These are, respectively, the Banach contraction mapping principal, Nadler’s well known set-valued extension of that theorem, the extension of Banach’s theorem to nonexpansive mappings, and Caristi’s theorem. These comparisons form a significant component of this book. This book is divided into three parts. Part I contains some aspects of the purely metric theory, especially Caristi’s theorem and a few of its many extensions. There is also a discussion of nonexpansive mappings, viewed in the context of logical foundations. Part I also contains certain results in hyperconvex metric spaces and ultrametric spaces. Part II treats fixed point theory in classes of spaces which, in addition to having a metric structure, also have geometric structure. These specifically include the geodesic spaces, length spaces and CAT(0) spaces. Part III focuses on distance spaces that are not necessarily metric. These include certain distance spaces which lie strictly between the class of semimetric spaces and the class of metric spaces, in that they satisfy relaxed versions of the triangle inequality, as well as other spaces whose distance properties do not fully satisfy the metric axioms.
