3 edition of **Distance geometry and molecular conformation** found in the catalog.

Distance geometry and molecular conformation

G. M. Crippen

- 217 Want to read
- 6 Currently reading

Published
**1988** by Research Studies Press, Wiley in Taunton, Somerset, England, New York .

Written in English

- Stereochemistry.,
- Distance geometry.,
- Conformational analysis.

**Edition Notes**

Includes bibliographies and index.

Statement | G.M. Crippen, T.F. Havel. |

Series | Chemometrics series ;, 15 |

Contributions | Havel, T. F. 1953- |

Classifications | |
---|---|

LC Classifications | QD481 .C76 1988 |

The Physical Object | |

Pagination | x, 541 p. : |

Number of Pages | 541 |

ID Numbers | |

Open Library | OL2041733M |

ISBN 10 | 0471920614 |

LC Control Number | 88018439 |

The Discretizable Molecular Distance Geometry Problem (DMDGP) involves a subset of instances of the distance geometry problem for which some assumptions allowing for discretization are satisfied. T Cited by: Convex Optimization Euclidean Distance Geometry 2 This book is about convex optimization, convex geometry (with particular attention organic molecular conformation by measuring interatomic distance along covalent bonds; e.g, Figure 5. [97] [] [] [50] Many disciplines have already beneﬁtted and simpliﬁedFile Size: 5MB. 94 Conformation, Solutions, and Molecular Weight Chapter 3 eqs. and , the characteristic ratio † is obtained as the ratio of the unperturbed mean-square end-to-end distance to the mean-square end-to-end distance of the freely jointed model (eq. ) C . Molecular conformation is any spatial arrangement of the atoms in a molecule which can be interconverted by rotations about formally single bonds. Biopolymers, such as polynucleotides, polypeptides or polysaccharides, may change conformation in re.

This book is about convex optimization, convex geometry (with particular attention to distance geometry), geometrical problems, and problems that can be transformed into geometrical problems. Euclidean distance geometry is, fundamentally, a determination of point conformation from interpoint distance information; e.g., given only distance.

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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 Distance geometry and molecular conformation book 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. Distance geometry and molecular conformation book 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. 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 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, Cited by: The raw performance of dragon-4 is best judged by the coordinate RMSDs between the corresponding C α atoms in the model and the X-ray structure ().The overall C α RMSD was Å ( atom pairs).

Within well-ordered regions, where the B-factor was less than 20 Å 2 and no alternative atom positions were found, this figure decreased to Å ( atoms), and within Cited by: 9. 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 inwhen 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. Additional Sources for Math Book Reviews; About MAA Reviews; Mathematical Communication; Information for Libraries; Author Resources; Advertise with MAA; Meetings.

MAA MathFest. Register Now; Registration Rates and Other Fees; Exhibitors and Sponsors; Abstracts; Mathematical Sessions. Invited Addresses; Invited Paper Sessions; Contributed Paper Missing: molecular conformation.

Euclidean Distance Geometry by Leo Liberti,available at Book Depository with free delivery worldwide. Euclidean Distance Geometry: Leo Liberti: We use cookies to give you the best possible experience.4/5(1).

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 distances.

Studies by 1 H nuclear magnetic resonance and distance geometry of the solution conformation of tendamistat an α-amylase inhibitor.

molec. Biol.– Cited by: Blumenthal [28], originated a body of knowledge which goes under the name of Distance Geometry (DG). This survey paper is concerned with what we believe to be the fundamental problem in DG: Distance Geometry Problem (DGP).

Author: Leo Liberti, Carlile Lavor, Nelson Maculan, Antonio Mucherino. Systematic Search of Constrained Molecular Conformations Lisa Tucker-Kellogg, Bruce Tidor & Tom´as Lozano-P´erez Experimental NMR constraints are typically interpreted using one of a family of stochastic “distance geometry” algorithms.[1] Distance Geometry and Molecular[2] E.

Gavuzzo, F. Mazza, G. The coordinates of the atoms of a given molecular conformation are to be discovered by exploiting only some of the distances between pairs of atoms found by experimental techniques. If this is the case, the problem is known in the literature as the Molecular Distance Geometry Problem (MDGP).

Discussion. Stochastic Proximity Embedding: A Simple, Fast and Scalable Algorithm for Solving the Distance Geometry Problem / Dimitris K. Agrafiotis, Deepak Bandyopadhyay, Eric Yang --Applications to Protein Conformations --Distance Geometry for Realistic Molecular Conformations / Gordon M.

Crippen --Distance Geometry in Structural Biology: New. 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 topology. Historically, the first result in distance geometry is Heron's formula in 1st. This talk will describe the insights that Connelly's results have brought to the applications of distance geometry to molecular conformation, and conversely, some new insights which the perspective of distance geometry brings to the theory of tensegrity frameworks.Distance geometry generates molecular conformations by sampling different possible interatomic distances between all pairs of atoms in the molecule.

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 Cited by: 5.The solution conformations of the protein hirudin have been investigated by the combined use of distance geometry and restrained molecular dynamics calculations.

The basis for the structure determination comprised approximate interproton distance restraints and 10 φ backbone torsion angle restraints derived from n.m.r. by: