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Author: Gautam R. Desiraju
Publisher: International Union of Crystal
ISBN: 9780198509707
Category : Hydrogen bonding
Languages : en
Pages : 530
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Book Description
The weak or non-conventional hydrogen bond has been subject of intense scrutiny over recent years in several fields, in particular in structural chemistry, structural biology, and also in the pharmaceutical sciences. There is today a large body of experimental and theoretical evidenceconfirming that hydrogen bonds like C-H...O, N-H...pi, C-H...pi and even bonds like O-H...metal play distinctive roles in molecular recognition, guiding molecular association, and in determining molecular and supramolecular architectures. The relevant compound classes include organometalliccomplexes, organic and bio-organic systems, and also DNA and proteins. The book provides a comprehensive assessment of this interaction type, and is of interest to all those interested in structural and supramolecular science, including fields as crystal engineering and drug design.
Author: Gautam R. Desiraju
Publisher: International Union of Crystal
ISBN: 9780198509707
Category : Hydrogen bonding
Languages : en
Pages : 530
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Book Description
The weak or non-conventional hydrogen bond has been subject of intense scrutiny over recent years in several fields, in particular in structural chemistry, structural biology, and also in the pharmaceutical sciences. There is today a large body of experimental and theoretical evidenceconfirming that hydrogen bonds like C-H...O, N-H...pi, C-H...pi and even bonds like O-H...metal play distinctive roles in molecular recognition, guiding molecular association, and in determining molecular and supramolecular architectures. The relevant compound classes include organometalliccomplexes, organic and bio-organic systems, and also DNA and proteins. The book provides a comprehensive assessment of this interaction type, and is of interest to all those interested in structural and supramolecular science, including fields as crystal engineering and drug design.
Author: M. F. C. Ladd
Publisher: Springer Science & Business Media
ISBN: 1461579333
Category : Science
Languages : en
Pages : 404
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Book Description
Crystallography may be described as the science of the structure of materi als, using this word in its widest sense, and its ramifications are apparent over a broad front of current scientific endeavor. It is not surprising, therefore, to find that most universities offer some aspects of crystallography in their undergraduate courses in the physical sciences. It is the principal aim of this book to present an introduction to structure determination by X-ray crystal lography that is appropriate mainly to both final-year undergraduate studies in crystallography, chemistry, and chemical physics, and introductory post graduate work in this area of crystallography. We believe that the book will be of interest in other disciplines, such as physics, metallurgy, biochemistry, and geology, where crystallography has an important part to play. In the space of one book, it is not possible either to cover all aspects of crystallography or to treat all the subject matter completely rigorously. In particular, certain mathematical results are assumed in order that their applications may be discussed. At the end of each chapter, a short bibliog raphy is given, which may be used to extend the scope of the treatment given here. In addition, reference is made in the text to specific sources of information. We have chosen not to discuss experimental methods extensively, as we consider that this aspect of crystallography is best learned through practical experience, but an attempt has been made to simulate the interpretive side of experimental crystallography in both examples and exercises.
Author: Jenny P. Glusker
Publisher: John Wiley & Sons
ISBN: 9780471185437
Category : Science
Languages : en
Pages : 876
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Book Description
Anhand verschiedener Beispiele zeigen die Autoren die Bedeutung der Kristallographie für Chemie und Biochemie auf und bieten somit eine gute Zusammenfassung der allgemeinen Prinzipien der Kristallstrukturanalyse. Zum einen sollen Interessierte, die diese Methode nicht selbst durchführen, in die Lage versetzt werden, deren Ergebnisse zu interpretieren. Zum anderen wird dem Leser deutlich gemacht, welche Bedeutung die ungeheure Datenmenge, die sich aus dieser Methode ergibt, einerseits für die Chemie sowie andererseits für die Biochemie hat. Das Buch ist verständlich geschrieben und mit zahlreichen Abbildungen versehen. Durch die Darstellung der Kristallstrukturanalyse im Vergleich zu anderen Methoden ist das Werk auch besonders für fortgeschrittene Studenten geeignet, die sich mit der Kristallographie vertraut machen wollen.
Author: Ulrich Müller
Publisher: Academic
ISBN: 0199669953
Category : Science
Languages : en
Pages : 349
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Book Description
The book presents the basic information needed to understand and to organize the huge amount of known structures of crystalline solids. Its basis is crystallographic group theory (space group theory), with special emphasis on the relations between the symmetry properties of crystals.
Author: John R. Helliwell
Publisher: CRC Press
ISBN: 9781498732109
Category : Medical
Languages : en
Pages : 0
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Book Description
A long established research crystallographer, John Helliwell, provides his perspectives on crystallography, one of the most multidisciplinary sciences, having its roots in fields as varied as mathematics, physics, chemistry, biology, materials science, computation and planetary earth sciences among many others. The UNESCO approved International Year of Crystallography took place in 2014. A key message was to build on the achievements of that year. This book aims to contribute to that process by providing rich and colorful information on everything from the history of crystal structure analysis to the societal impacts of crystallography in the sustainability of life.
Author: Michael F Moody
Publisher: Academic Press
ISBN: 0080919456
Category : Science
Languages : en
Pages : 451
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Book Description
Structural Biology Using Electrons and X-Rays discusses the diffraction and image-based methods used for the determination of complex biological macromolecules. The book focuses on the Fourier transform theory, which is a mathematical function that is computed to transform signals between time and frequency domain. Composed of five parts, the book examines the development of nuclear magnetic resonance (NMR), which allows the calculation of the images of a certain protein. Parts 1 to 4 provide the basic information and the applications of Fourier transforms, as well as the different methods used for image processing using X-ray crystallography and the analysis of electron micrographs. Part 5 focuses entirely on the mathematical aspect of Fourier transforms. In addition, the book examines detailed structural analyses of a specimen's symmetry (i.e., crystals, helices, polyhedral viruses and asymmetrical particles). This book is intended for the biologist or biochemist who is interested in different methods and techniques for calculating the images of proteins using nuclear magnetic resonance (NMR). It is also suitable for readers without a background in physical chemistry or mathematics. - Emphasis on common principles underlying all diffraction-based methods - Thorough grounding in theory requires understanding of only simple algebra - Visual representations and explanations of challenging content - Mathematical detail offered in short-course form to parallel the text
Author: Jean-Paul Renaud
Publisher: John Wiley & Sons
ISBN: 1118900502
Category : Medical
Languages : en
Pages : 1437
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Book Description
With the most comprehensive and up-to-date overview of structure-based drug discovery covering both experimental and computational approaches, Structural Biology in Drug Discovery: Methods, Techniques, and Practices describes principles, methods, applications, and emerging paradigms of structural biology as a tool for more efficient drug development. Coverage includes successful examples, academic and industry insights, novel concepts, and advances in a rapidly evolving field. The combined chapters, by authors writing from the frontlines of structural biology and drug discovery, give readers a valuable reference and resource that: Presents the benefits, limitations, and potentiality of major techniques in the field such as X-ray crystallography, NMR, neutron crystallography, cryo-EM, mass spectrometry and other biophysical techniques, and computational structural biology Includes detailed chapters on druggability, allostery, complementary use of thermodynamic and kinetic information, and powerful approaches such as structural chemogenomics and fragment-based drug design Emphasizes the need for the in-depth biophysical characterization of protein targets as well as of therapeutic proteins, and for a thorough quality assessment of experimental structures Illustrates advances in the field of established therapeutic targets like kinases, serine proteinases, GPCRs, and epigenetic proteins, and of more challenging ones like protein-protein interactions and intrinsically disordered proteins
Author: Kevin J. Roberts
Publisher: Springer
ISBN: 9402411178
Category : Science
Languages : en
Pages : 481
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Book Description
This book highlights the current state-of-the-art regarding the application of applied crystallographic methodologies for understanding, predicting and controlling the transformation from the molecular to crystalline state with the latter exhibiting pre-defined properties. This philosophy is built around the fundamental principles underpinning the three inter-connected themes of Form (what), Formation (how) and Function (why). Topics covered include: molecular and crystal structure, chirality and ferromagnetism, supramolecular assembly, defects and reactivity, morphology and surface energetics. Approaches for preparing crystals and nano-crystals with novel physical, chemical and mechanical properties include: crystallisation, seeding, phase diagrams, polymorphic control, chiral separation, ultrasonic techniques and mechano-chemistry. The vision is realised through examination of a range of advanced analytical characterisation techniques including in-situ studies. The work is underpinned through an unprecedented structural perspective of molecular features, solid-state packing arrangements and surface energetics as well as in-situ studies. This work will be of interest to researchers, industrialists, intellectual property specialists and policy makers interested in the latest developments in the design and supply of advanced high added-value organic solid-form materials and product composites.
Author: Bernhard Rupp
Publisher: Garland Science
ISBN: 1134064195
Category : Science
Languages : en
Pages : 832
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Book Description
Synthesizing over thirty years of advances into a comprehensive textbook, Biomolecular Crystallography describes the fundamentals, practices, and applications of protein crystallography. Illustrated in full-color by the author, the text describes mathematical and physical concepts in accessible and accurate language. Biomolecular Crystallography will be a valuable resource for advanced undergraduate and graduate students and practitioners in structural biology, crystallography, and structural bioinformatics.
Author: Anthony Michael Glazer
Publisher: Oxford University Press
ISBN: 0198717598
Category : Science
Languages : en
Pages : 169
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Book Description
A long history -- Symmetry -- Crystal structures -- Diffraction -- Seeing atoms -- Sources of radiation
