Direct Methods for Solving Macromolecular Structures

Author:   S. Fortier
Publisher:   Springer
Edition:   Softcover reprint of hardcover 1st ed. 1998
Volume:   507
ISBN:  

9789048149940


Pages:   526
Publication Date:   15 December 2010
Format:   Paperback
Availability:   Manufactured on demand   Availability explained
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Direct Methods for Solving Macromolecular Structures


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Overview

The first part of the book introduces the array of tools currently in use in structure determination, originating from mathematical, computational and experimental approaches. It displays the variety and ingenuity of old and new phasing approaches developed to solve increasingly complex structures. Some of the papers focus on recent developments that have given older methods a new lease of life. Equally impressive are the presentations of newer approaches which take advantage of recent experimental, mathematical and computational advances. The second part of the book focuses on applications to macromolecular structures, displaying the incredible progress that has been achieved in recent years. The book concludes with a series of presentations on the latest developments, providing a view of the newest phasing methodologies. It offers the promise of many more achievements yet to come.

Full Product Details

Author:   S. Fortier
Publisher:   Springer
Imprint:   Springer
Edition:   Softcover reprint of hardcover 1st ed. 1998
Volume:   507
Dimensions:   Width: 15.50cm , Height: 2.70cm , Length: 23.50cm
Weight:   0.819kg
ISBN:  

9789048149940


ISBN 10:   9048149940
Pages:   526
Publication Date:   15 December 2010
Audience:   Professional and scholarly ,  Professional & Vocational
Format:   Paperback
Publisher's Status:   Active
Availability:   Manufactured on demand   Availability explained
We will order this item for you from a manufactured on demand supplier.

Table of Contents

The phase problem of x-ray crystallography: overview.- A simple introduction to direct methods.- An elementary introduction to direct methods.- A simple introduction to Patterson methods.- An introduction to probability theory.- Intensity statistics and normalization.- Invariants, seminvariants and phase relationships.- Sayre equation, tangent formula and SAYTAN.- Probabilistic phasing methods versus macromolecular crystallography.- to the use of non-crystallographic symmetry in phasing.- An introduction to maximum entropy in action.- Crystal structure refinement incorporating chemical information.- Location of heavy atoms by automated Patterson interpretation.- New applications of simulated annealing in crystallographic refinement.- Figures of merit for evaluating phases.- to density modification.- An integrated graphical user interface for crystallographic software.- Isomorphous replacement: a survey of recent developments.- A theoretical study on the measurability of Bijvoet differences in macromolecular crystals.- Multiwavelength anomalous diffraction in macromolecular crystallography.- The solvent contrast variation method.- Obtaining phases from electron microscopy for solving protein structures.- Solving a heavy-atom substructure by direct methods.- Direct methods in relation to isomorphous data.- Integration of direct methods with SIR techniques.- Direct methods of solving phase ambiguities in macromolecular structures.- Phase refinement.- On the use of partial structure information in ab initio direct methods.- Direct methods with electron microscope information.- Density modification and direct methods.- Molecular scene analysis and its role in protein structure determination.- Membrane proteins solved by electron microscopy and electron diffraction.- The phase problem: a problem in constrained global optimization.- Shake-and-Bake: applications and advances.- SHELX applications to macromolecules.- Ab initio determination of a low resolution molecular envelope by direct methods.- Model based very low resolution phasing.- Use of non-crystallographic symmetry for ab initio phasing of virus structures.- Direct methods, and the use of synchrotron radiation for macromolecular crystallography.- The likelihood based choice of priors in statistical approaches to the phase problem.- Developments in maximum entropy and likelihood.- Extending the resolving power of Shake-and-Bake.- Reinvestigation of the use of Patterson maps to extrapolate data to higher resolution.- Intensity oversampling from crystallographic sampling via discrete Hilbert transforms.- Applications of direct methods with single isomorphous replacement or one wavelength anomalous scattering data.- Direct methods and molecular replacement techniques: the translation problem.- Holographic methods in x-ray crystallography.- A comparison of two algorithms for electron density map improvement by introduction of atomicity: skeletonization, and map sorting followed by refinement.- Real-space refinement using RsRef.- Towards the enantiomorph specific probabilistic theory of the structure invariants.

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