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Author: Antonio Mucherino Publisher: Springer Science & Business Media ISBN: 1461451280 Category : Mathematics Languages : en Pages : 436
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: Antonio Mucherino Publisher: Springer Science & Business Media ISBN: 1461451280 Category : Mathematics Languages : en Pages : 436
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: Fred Roberts Publisher: Springer Science & Business Media ISBN: 1468463810 Category : Mathematics Languages : en Pages : 345
Book Description
This IMA Volume in Mathematics and its Applications Applications of Combinatorics and Graph Theory to the Biological and Social Sciences is based on the proceedings of a workshop which was an integral part of the 1987-88 IMA program on APPLIED COMBINATORICS. We are grateful to the Scientific Committee: Victor Klee (Chairman), Daniel Kleitman, Dijen Ray-Chaudhuri and Dennis Stanton for planning and implementing an exciting and stimulating year long program. We especially thank the Workshop Organizers, Joel Cohen and Fred Roberts, for organizing a workshop which brought together many of the major figures in a variety of research fields connected with the application of combinatorial ideas to the social and biological sciences. A vner Friedman Willard Miller APPLICATIONS OF COMBINATORICS AND GRAPH THEORY TO THE BIOLOGICAL AND SOCIAL SCIENCES: SEVEN FUNDAMENTAL IDEAS FRED S. RoBERTS* Abstract. To set the stage for the other papers in this volume, seven fundamental concepts which arise in the applications of combinatorics and graph theory in the biological and social sciences are described. These ideas are: RNA chains as "words" in a 4 letter alphabet; interval graphs; competition graphs or niche overlap graphs; qualitative stability; balanced signed graphs; social welfare functions; and semiorders. For each idea, some basic results are presented, some recent results are given, and some open problems are mentioned.
Author: János Pach Publisher: American Mathematical Soc. ISBN: 0821834843 Category : Mathematics Languages : en Pages : 300
Book Description
This volume contains a collection of papers on graph theory, with the common theme that all the graph theoretical problems addressed are approached from a geometrical, rather than an abstract point of view. This is no accident; the editor selected these papers not as a comprehensive literature revie
Author: Carlile Lavor Publisher: Springer ISBN: 3319571834 Category : Computers Languages : en Pages : 59
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: Kenny B. Lipkowitz Publisher: John Wiley & Sons ISBN: 0471458813 Category : Science Languages : en Pages : 431
Book Description
Computational chemistry is increasingly used in most areas of molecular science including organic, inorganic, medicinal, biological, physical, and analytical chemistry. Researchers in these fields who do molecular modelling need to understand and stay current with recent developments. This volume, like those prior to it, features chapters by experts in various fields of computational chemistry. Two chapters focus on molecular docking, one of which relates to drug discovery and cheminformatics and the other to proteomics. In addition, this volume contains tutorials on spin-orbit coupling and cellular automata modeling, as well as an extensive bibliography of computational chemistry books. FROM REVIEWS OF THE SERIES "Reviews in Computational Chemistry remains the most valuable reference to methods and techniques in computational chemistry."—JOURNAL OF MOLECULAR GRAPHICS AND MODELLING "One cannot generally do better than to try to find an appropriate article in the highly successful Reviews in Computational Chemistry. The basic philosophy of the editors seems to be to help the authors produce chapters that are complete, accurate, clear, and accessible to experimentalists (in particular) and other nonspecialists (in general)."—JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
Author: J. Gimbel Publisher: Elsevier ISBN: 0080867952 Category : Mathematics Languages : en Pages : 407
Book Description
Graph Theory (as a recognized discipline) is a relative newcomer to Mathematics. The first formal paper is found in the work of Leonhard Euler in 1736. In recent years the subject has grown so rapidly that in today's literature, graph theory papers abound with new mathematical developments and significant applications.As with any academic field, it is good to step back occasionally and ask Where is all this activity taking us?, What are the outstanding fundamental problems?, What are the next important steps to take?. In short, Quo Vadis, Graph Theory?. The contributors to this volume have together provided a comprehensive reference source for future directions and open questions in the field.
Author: Heitor Lopes Publisher: BoD – Books on Demand ISBN: 9533076291 Category : Computers Languages : en Pages : 460
Book Description
Nowadays it is difficult to imagine an area of knowledge that can continue developing without the use of computers and informatics. It is not different with biology, that has seen an unpredictable growth in recent decades, with the rise of a new discipline, bioinformatics, bringing together molecular biology, biotechnology and information technology. More recently, the development of high throughput techniques, such as microarray, mass spectrometry and DNA sequencing, has increased the need of computational support to collect, store, retrieve, analyze, and correlate huge data sets of complex information. On the other hand, the growth of the computational power for processing and storage has also increased the necessity for deeper knowledge in the field. The development of bioinformatics has allowed now the emergence of systems biology, the study of the interactions between the components of a biological system, and how these interactions give rise to the function and behavior of a living being. This book presents some theoretical issues, reviews, and a variety of bioinformatics applications. For better understanding, the chapters were grouped in two parts. In Part I, the chapters are more oriented towards literature review and theoretical issues. Part II consists of application-oriented chapters that report case studies in which a specific biological problem is treated with bioinformatics tools.
Author: Antonio Mucherino
Author: Antonio Mucherino
Author: G. M. Crippen
Author: Fred Roberts
Author: János Pach
Author: G. M. Crippen
Author: 
Author: Carlile Lavor
Author: Kenny B. Lipkowitz
Author: J. Gimbel
Author: Heitor Lopes