3 edition of Distance geometry and molecular conformation found in the catalog.
Distance geometry and molecular conformation
G. M. Crippen
Includes bibliographies and index.
|Statement||G.M. Crippen, T.F. Havel.|
|Series||Chemometrics series ;, 15|
|Contributions||Havel, T. F. 1953-|
|LC Classifications||QD481 .C76 1988|
|The Physical Object|
|Pagination||x, 541 p. :|
|Number of Pages||541|
|LC Control Number||88018439|
Distance geometry is the characterization and study of sets of points based only on given values of the distances between member pairs. More abstractly, it is the study of semimetric spaces and the isometric transformations between them. In this view, it can be considered as a subject within general g: molecular conformation. Overview Convex Optimization Euclidean Distance Geometry 2ε People are so afraid of convex analysis. −Claude Lemar´echal, In layman’s terms, the mathematical science of Optimization is a study of how to make good choices when confronted with conﬂicting requirements and demands. Optimization.
This is useful in several applications where the input data consist of an incomplete set of distances and the output is a set of points in Euclidean space realizing those given distances. We survey the theory of Euclidean distance geometry and its most important applications, with special emphasis on molecular conformation by: Crippen and Havel are two pioneers of DGP, and they co-authored the book "Distance Geometry and Molecular Conformation", Much more recently, an edited book, collecting the most recent efforts from the scientific community for solving the DGP, was published by Springer. See this web page for the list of contributions.
DGSOL is a software package for solving large distance geometry problems in macromolecular modeling. DGSOL has been developed for both sequential and parallel architectures.. Distance geometry problems are interesting mathematical problems with important applications in computational biology, the interpretation of NMR data, and the determination of protein structure. Distance geometry was born in , when Karl Menger characterized several geometrical concepts, such as congruence and convexity, by means of the primary notion of distance. This attempt was far from uncommon in the 50 years covering the turn of the century: several geometers asked themselves what would happen.
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Distance Geometry and Molecular Conformation Hardcover – November 1, by G.M. Crippen (Author)Cited by: Distance geometry and molecular conformation, by G. Crippen and T. Havel, Research Studies Press, Taunton, England, John Wiley and Sons, New York, pp.
Cited by: 1. From the Back Cover. Distance Geometry: Theory, Methods, and Applications is the first collection of research surveys dedicated to distance geometry and its applications. The first part of the book discusses theoretical aspects of the Distance Geometry Problem (DGP), where the relation between DGP and other related subjects are also : Antonio Mucherino.
Additional Physical Format: Online version: Crippen, G.M. Distance geometry and molecular conformation. Taunton, Somerset, England: Research Studies Press ; New York. The mathematics of distance geometry constitutes the basis of a group of algorithms for revealing the structural consequences of diverse forms of information about a macromolecule's conformation.
Since the monograph "Distance Geometry and Molecular Conformation" by Crippen and Havel, there have been significant changes in the application of distance geometry to problems of chemical interest. This review attempts to outline what the current state of the art is, in both the underlying mathematical methods and chemical.
DOWNLOAD DISTANCE GEOMETRY AND MOLECULAR CONFORMATION CHEMOMETRICS SERIES PDF. That's it, a book to wait for in this month. Even you have wanted for long time for releasing this book Distance Geometry And Molecular Conformation Chemometrics Series; you may not be able to get in some stress.
Distance geometry problems arise in the interpretation of NMR data and in the determination of protein structure. We formulate the distance geometry problem as a global minimization problem with special structure, and show that global smoothing techniques and a continuation approach for global optimization can be used to determine solutions of distance geometry problems.
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. Distance geometry and molecular conformation G.
Crippen and T. Havel, John Wiley & Sons, $ £ (x + pages) ISBN 0 4Cited by: 2. Abstract. Currently, the most prominent application of distance geometry is related to molecular geometry.
Specifically, the problem is the calculation of the 3D protein structure using distance information obtained from Nuclear Magnetic Resonance (NMR) experiments [79, 80].It is worth mentioning that the Nobel Prize in Chemistry was awarded to the chemist Kurt Wüthrich Author: Carlile Lavor, Leo Liberti, Weldon A.
Lodwick, Tiago Mendonça da Costa. Distance geometry and conformational calculations, G. Crippen. Research Studies Press, Chichester, New York,58 pp. derivatives reveals a preferential folded conformation leading to a stereoselective attack by sodium borohydride, Journal of Molecular Structure, Distance Geometry: Theory, Methods, and Applications is the first collection of research surveys dedicated to distance geometry and its applications.
The first part of the book discusses theoretical aspects of the Distance Geometry Problem (DGP), where the relation between DGP and other related subjects are also presented. Request PDF | Distance Geometry and Molecular Geometry | Currently, the most prominent application of distance geometry is related to molecular geometry.
Specifically, the problem is. 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. ELSEVIER Conformational analysis using distance geometry methods David C.
Spellmeyer, Alex K. Wong, Michael J. Bower, and Jeffrey M. Blaney Chiron Corporation, Emeryville, California, USA Distance geometry methods have been used extensively to build models of molecules of various sizes, including small molecules, peptides, and by: Distance geometry for realistic molecular conformations, by Gordon M.
Crippen. Distance geometry in structural biology: new perspectives, by Thérèse E. Malliavin, Antonio Mucherino, Michael Nilges. Using a distributed SDP approach to solve simulated protein molecular conformation problems, by Xingyuan Fang, Kim-Chuan Toh.
An overview on protein. Abstract: Euclidean distance geometry is the study of Euclidean geometry based on the concept of distance. This is useful in several applications where the input data consists of an incomplete set of distances, and the output is a set of points in Euclidean space that realizes the given : Leo Liberti, Carlile Lavor, Nelson Maculan, Antonio Mucherino.
More generally, a distance geometry description of a molecular system consists of a list of distance and chirality constraints. These are, respectively, lower and upper bounds on the distances between pairs of atoms, and the chirality of its rigid quadruples of atoms (i.e., Ror Srelative to some given order).
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.
Distance geometry generates molecular conformations by sampling different possible interatomic distances between all pairs of atoms in the molecule.
22,23 Upper and lower distance limits, or bounds, are defined for each pair of atoms in the molecule, and then a distance within these bounds is selected randomly for each pair.
Lower bounds are typically Cited by: 5.The study of Euclidean distance matrices (EDMs) fundamentally asks what can be known geometrically given onlydistance information between points in Euclidean space. Each point may represent simply locationor, abstractly, any entity expressible as a vector in finite-dimensional Euclidean answer to the question posed is that very much can be known about the .Euclidean distance geometry is, fundamentally, a determination of point conformation from interpoint distance information; e.g., given only distance information, determine whether there corresponds a realizable configuration of points; a list of points in some dimension that attains the given interpoint distances.
large black & white paperback.