Distance Geometry (eBook)
XVI, 420 Seiten
Springer New York (Verlag)
978-1-4614-5128-0 (ISBN)
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.
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.
Preface.- 1. Universal Rigidity of Bar Frameworks in General Position (A. Alfakih).- 2. Mixed Volume and Distance Geometry Techniques for Counting Euclidean Embeddings of Rigid Graphs (I. Emiris, E. Tsigaridas, A. Varvitsiotis).- 3. (The discretizable molecular distance Geometry Problem Seems Easier on Proteins (L. Liberti, C. Lavor, A. Mucherino).- 4. Spheres Unions and Intersections and Some of Their Applications in Molecular Modeling (M. Petitjean).- 5. Is the Distance Geometry Problem in NP? (N. Beeker, S. Gaubert, C. Glusa, L. Liberti).- 6. Solving Spatial Constraints with Generalized Distance Geometry (L. Yang).- 7. A Topological Interpretation of the Walk Distances (P. Chebotarev, M. Deza).- 8. Distance Geometry Methods for Protein Structure Determination (Z. Voller, Z. Wu).- 9. Solving the discretizable molecular distance geometry problem by multiple realization trees (P. Nucci, L. Nogueira, C. Lavor).- 10.-ASAP - An Eigenvector Synchronization Algorithm for the Graph Realization Problem (M. Cucuringu).- 11. Global Optimization for Atomic Cluster Distance Geometry Problems (M. Locatelli, F. Schoen).- 12. Solving molecular distance geometry problems using a continuous optimization approach (R. Lima, J.M. Martinez).- 13. DC Programming Approaches for Distance Geometry Problems (H. Thi, T. Dinh).- 14. Stochastic Proximity Embedding (D. Agrafiotis, D. Bandyopadhyay, E. Yang).- 15. Distance Geometry for Realistic Molecular Conformations.- 16. Distance Geometry in Structural Biology (T. Malliavin, A. Mucherino, M. Nilges).- 17. Using a Distributed SDP Approach to Solve Simulated Protein Molecular Conformation Problems (X. Fang, K-C. Toh).- 18. An Overview on Protein Structure Determintion by NMR - Historical and Future Perspectives of the Use of Distance Geometry Methods.-Index.
| Erscheint lt. Verlag | 22.12.2012 |
|---|---|
| Zusatzinfo | XVI, 420 p. |
| Verlagsort | New York |
| Sprache | englisch |
| Themenwelt | Mathematik / Informatik ► Mathematik ► Geometrie / Topologie |
| Mathematik / Informatik ► Mathematik ► Graphentheorie | |
| Technik | |
| Wirtschaft ► Betriebswirtschaft / Management ► Planung / Organisation | |
| Schlagworte | distance geometry • Graph Drawing • Molecular Conformation • Nuclear Magnetic Resonance • Sensor Network Localization |
| ISBN-10 | 1-4614-5128-0 / 1461451280 |
| ISBN-13 | 978-1-4614-5128-0 / 9781461451280 |
| Haben Sie eine Frage zum Produkt? |
PDF (Wasserzeichen)Größe: 7,5 MB
DRM: Digitales Wasserzeichen
Dieses eBook enthält ein digitales Wasserzeichen und ist damit für Sie personalisiert. Bei einer missbräuchlichen Weitergabe des eBooks an Dritte ist eine Rückverfolgung an die Quelle möglich.
Dateiformat: PDF (Portable Document Format)
Mit einem festen Seitenlayout eignet sich die PDF besonders für Fachbücher mit Spalten, Tabellen und Abbildungen. Eine PDF kann auf fast allen Geräten angezeigt werden, ist aber für kleine Displays (Smartphone, eReader) nur eingeschränkt geeignet.
Systemvoraussetzungen:
PC/Mac: Mit einem PC oder Mac können Sie dieses eBook lesen. Sie benötigen dafür einen PDF-Viewer - z.B. den Adobe Reader oder Adobe Digital Editions.
eReader: Dieses eBook kann mit (fast) allen eBook-Readern gelesen werden. Mit dem amazon-Kindle ist es aber nicht kompatibel.
Smartphone/Tablet: Egal ob Apple oder Android, dieses eBook können Sie lesen. Sie benötigen dafür einen PDF-Viewer - z.B. die kostenlose Adobe Digital Editions-App.
Buying eBooks from abroad
For tax law reasons we can sell eBooks just within Germany and Switzerland. Regrettably we cannot fulfill eBook-orders from other countries.
aus dem Bereich
