Investigation Of Protein Ligand Interactions By Molecular Dynamics And Saturation Transfer Difference Nmr Spectroscopy

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Applied Biophysics for Drug Discovery

Author : Donald Huddler
Publisher : John Wiley & Sons
ISBN 13 : 111909948X
Total Pages : 148 pages
Book Rating : 4.1/5 (19 download)

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Book Synopsis Applied Biophysics for Drug Discovery by : Donald Huddler

Download or read book Applied Biophysics for Drug Discovery written by Donald Huddler and published by John Wiley & Sons. This book was released on 2017-10-02 with total page 148 pages. Available in PDF, EPUB and Kindle. Book excerpt: Applied Biophysics for Drug Discovery is a guide to new techniques and approaches to identifying and characterizing small molecules in early drug discovery. Biophysical methods are reasserting their utility in drug discovery and through a combination of the rise of fragment-based drug discovery and an increased focus on more nuanced characterisation of small molecule binding, these methods are playing an increasing role in discovery campaigns. This text emphasizes practical considerations for selecting and deploying core biophysical method, including but not limited to ITC, SPR, and both ligand-detected and protein-detected NMR. Topics covered include: • Design considerations in biophysical-based lead screening • Thermodynamic characterization of protein-compound interactions • Characterizing targets and screening reagents with HDX-MS • Microscale thermophoresis methods (MST) • Screening with Weak Affinity Chromatography • Methods to assess compound residence time • 1D-NMR methods for hit identification • Protein-based NMR methods for SAR development • Industry case studies integrating multiple biophysical methods This text is ideal for academic investigators and industry scientists planning hit characterization campaigns or designing and optimizing screening strategies.

Biological NMR Spectroscopy

Author : John L. Markley
Publisher : Oxford University Press
ISBN 13 : 0195094689
Total Pages : 375 pages
Book Rating : 4.1/5 (95 download)

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Book Synopsis Biological NMR Spectroscopy by : John L. Markley

Download or read book Biological NMR Spectroscopy written by John L. Markley and published by Oxford University Press. This book was released on 1997-01-30 with total page 375 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book presents a critical assessment of progress on the use of nuclear magnetic resonance spectroscopy to determine the structure of proteins, including brief reviews of the history of the field along with coverage of current clinical and in vivo applications. The book, in honor of Oleg Jardetsky, one of the pioneers of the field, is edited by two of the most highly respected investigators using NMR, and features contributions by most of the leading workers in the field. It will be valued as a landmark publication that presents the state-of-the-art perspectives regarding one of today's most important technologies.

Fragment-Based Drug Discovery

Author : Steven Howard
Publisher : Royal Society of Chemistry
ISBN 13 : 1782625658
Total Pages : 314 pages
Book Rating : 4.7/5 (826 download)

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Book Synopsis Fragment-Based Drug Discovery by : Steven Howard

Download or read book Fragment-Based Drug Discovery written by Steven Howard and published by Royal Society of Chemistry. This book was released on 2015-06-17 with total page 314 pages. Available in PDF, EPUB and Kindle. Book excerpt: Fragment-based drug discovery is a rapidly evolving area of research, which has recently seen new applications in areas such as epigenetics, GPCRs and the identification of novel allosteric binding pockets. The first fragment-derived drug was recently approved for the treatment of melanoma. It is hoped that this approval is just the beginning of the many drugs yet to be discovered using this fascinating technique. This book is written from a Chemist's perspective and comprehensively assesses the impact of fragment-based drug discovery on a wide variety of areas of medicinal chemistry. It will prove to be an invaluable resource for medicinal chemists working in academia and industry, as well as anyone interested in novel drug discovery techniques.

Protein-Ligand Interactions

Author : Mark A. Williams
Publisher : Humana
ISBN 13 : 9781493958733
Total Pages : 0 pages
Book Rating : 4.9/5 (587 download)

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Book Synopsis Protein-Ligand Interactions by : Mark A. Williams

Download or read book Protein-Ligand Interactions written by Mark A. Williams and published by Humana. This book was released on 2016-11-17 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: Proteins are the cell’s workers, their messengers and overseers. In these roles, proteins specifically bind small molecules, nucleic acid and other protein partners. Cellular systems are closely regulated and biologically significant changes in populations of particular protein complexes correspond to very small variations of their thermodynamics or kinetics of reaction. Interfering with the interactions of proteins is the dominant strategy in the development of new pharmaceuticals. Protein Ligand Interactions: Methods and Applications, Second Edition provides a complete introduction to common and emerging procedures for characterizing the interactions of individual proteins. From the initial discovery of natural substrates or potential drug leads, to the detailed quantitative understanding of the mechanism of interaction, all stages of the research process are covered with a focus on those techniques that are, or are anticipated to become, widely accessible and performable with mainstream commercial instrumentation. Written in the highly successful Methods in Molecular Biology series format, chapters contain introductions to their respective topics, lists of the necessary materials and reagents, step-by-step, readily reproducible laboratory protocols, and notes on troubleshooting and avoiding known pitfalls. Authoritative and accessible, Protein Ligand Interactions: Methods and Applications, Second Edition serves as an ideal guide for researchers new to the field of biophysical characterization of protein interactions – whether they are beginning graduate students or experts in allied areas of molecular cell biology, microbiology, pharmacology, medicinal chemistry or structural biology.

In-cell NMR Spectroscopy

Author : Yutaka Ito
Publisher : Royal Society of Chemistry
ISBN 13 : 1839160934
Total Pages : 322 pages
Book Rating : 4.8/5 (391 download)

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Book Synopsis In-cell NMR Spectroscopy by : Yutaka Ito

Download or read book In-cell NMR Spectroscopy written by Yutaka Ito and published by Royal Society of Chemistry. This book was released on 2019-12-09 with total page 322 pages. Available in PDF, EPUB and Kindle. Book excerpt: In-cell NMR spectroscopy is a relatively new field. Despite its short history, recent in-cell NMR-related publications in major journals indicate that this method is receiving significant general attention. This book provides the first informative work specifically focused on in-cell NMR. It details the historical background of in-cell NMR, host cells for in-cell NMR studies, methods for in-cell biological techniques and NMR spectroscopy, applications, and future perspectives. Researchers in biochemistry, biophysics, molecular biology, cell biology, structural biology as well as NMR analysts interested in biological applications will all find this book valuable reading.

High-resolution NMR Techniques in Organic Chemistry

Author : T. Claridge
Publisher : Elsevier
ISBN 13 : 9780080427997
Total Pages : 408 pages
Book Rating : 4.4/5 (279 download)

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Book Synopsis High-resolution NMR Techniques in Organic Chemistry by : T. Claridge

Download or read book High-resolution NMR Techniques in Organic Chemistry written by T. Claridge and published by Elsevier. This book was released on 1999-12-24 with total page 408 pages. Available in PDF, EPUB and Kindle. Book excerpt: From the initial observation of proton magnetic resonance in water and in paraffin, the discipline of nuclear magnetic resonance has seen unparalleled growth as an analytical method. Modern NMR spectroscopy is a highly developed, yet still evolving, subject which finds application in chemistry, biology, medicine, materials science and geology. In this book, emphasis is on the more recently developed methods of solution-state NMR applicable to chemical research, which are chosen for their wide applicability and robustness. These have, in many cases, already become established techniques in NMR laboratories, in both academic and industrial establishments. A considerable amount of information and guidance is given on the implementation and execution of the techniques described in this book.

Modern Magnetic Resonance

Author : Graham A. Webb
Publisher : Springer Science & Business Media
ISBN 13 : 1402039107
Total Pages : 1889 pages
Book Rating : 4.4/5 (2 download)

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Book Synopsis Modern Magnetic Resonance by : Graham A. Webb

Download or read book Modern Magnetic Resonance written by Graham A. Webb and published by Springer Science & Business Media. This book was released on 2007-05-26 with total page 1889 pages. Available in PDF, EPUB and Kindle. Book excerpt: A comprehensive collection of the applications of Nuclear Magnetic Resonance (NMR), Magnetic Resonance Imaging (MRI) and Electron-Spin Resonance (ESR). Covers the wide ranging disciplines in which these techniques are used: * Chemistry; * Biological Sciences; * Pharmaceutical Sciences; * Medical uses; * Marine Science; * Materials Science; * Food Science. Illustrates many techniques through the applications described, e.g.: * High resolution solid and liquid state NMR; * Low resolution NMR, especially important in food science; * Solution State NMR, especially important in pharmaceutical sciences; * Magnetic Resonance Imaging, especially important for medical uses; * Electron Spin Resonance, especially important for spin-labelling in food, marine and medical studies.

Glycosaminoglycans and Proteoglycans

Author : 978-3-03842-836-7
Publisher : MDPI
ISBN 13 : 3038428353
Total Pages : 247 pages
Book Rating : 4.0/5 (384 download)

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Book Synopsis Glycosaminoglycans and Proteoglycans by : 978-3-03842-836-7

Download or read book Glycosaminoglycans and Proteoglycans written by 978-3-03842-836-7 and published by MDPI. This book was released on 2018-07-04 with total page 247 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book is a printed edition of the Special Issue "Glycosaminoglycans and Proteoglycans" that was published in Pharmaceuticals

Structural Biology in Drug Discovery

Author : Jean-Paul Renaud
Publisher : John Wiley & Sons
ISBN 13 : 1118900502
Total Pages : 1437 pages
Book Rating : 4.1/5 (189 download)

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Book Synopsis Structural Biology in Drug Discovery by : Jean-Paul Renaud

Download or read book Structural Biology in Drug Discovery written by Jean-Paul Renaud and published by John Wiley & Sons. This book was released on 2020-01-09 with total page 1437 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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

Experimental Approaches of NMR Spectroscopy

Author : The Nuclear Magnetic Resonance Society of Japan
Publisher : Springer
ISBN 13 : 9811059667
Total Pages : 634 pages
Book Rating : 4.8/5 (11 download)

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Book Synopsis Experimental Approaches of NMR Spectroscopy by : The Nuclear Magnetic Resonance Society of Japan

Download or read book Experimental Approaches of NMR Spectroscopy written by The Nuclear Magnetic Resonance Society of Japan and published by Springer. This book was released on 2017-11-23 with total page 634 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book describes the advanced developments in methodology and applications of NMR spectroscopy to life science and materials science. Experts who are leaders in the development of new methods and applications of life and material sciences have contributed an exciting range of topics that cover recent advances in structural determination of biological and material molecules, dynamic aspects of biological and material molecules, and development of novel NMR techniques, including resolution and sensitivity enhancement. First, this book particularly emphasizes the experimental details for new researchers to use NMR spectroscopy and pick up the potentials of NMR spectroscopy. Second, the book is designed for those who are involved in either developing the technique or expanding the NMR application fields by applying them to specific samples. Third, the Nuclear Magnetic Resonance Society of Japan has organized this book not only for NMR members of Japan but also for readers worldwide who are interested in using NMR spectroscopy extensively.

Protein NMR Spectroscopy

Author : Lu-Yun Lian
Publisher : John Wiley & Sons
ISBN 13 : 0470721936
Total Pages : 384 pages
Book Rating : 4.4/5 (77 download)

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Book Synopsis Protein NMR Spectroscopy by : Lu-Yun Lian

Download or read book Protein NMR Spectroscopy written by Lu-Yun Lian and published by John Wiley & Sons. This book was released on 2011-08-08 with total page 384 pages. Available in PDF, EPUB and Kindle. Book excerpt: Nuclear Magnetic Resonance (NMR) spectroscopy, a physical phenomenon based upon the magnetic properties of certain atomic nuclei, has found a wide range of applications in life sciences over recent decades. This up-to-date volume covers NMR techniques and their application to proteins, with a focus on practical details. Providing newcomers to NMR with practical guidance to carry out successful experiments with proteins and analyze the resulting spectra, those familiar with the chemical applications of NMR will also find it useful in understanding the special requirements of protein NMR.

NMR Spectroscopy for Probing Functional Dynamics at Biological Interfaces

Author : Anirban Bhunia
Publisher : Royal Society of Chemistry
ISBN 13 : 1839165715
Total Pages : 733 pages
Book Rating : 4.8/5 (391 download)

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Book Synopsis NMR Spectroscopy for Probing Functional Dynamics at Biological Interfaces by : Anirban Bhunia

Download or read book NMR Spectroscopy for Probing Functional Dynamics at Biological Interfaces written by Anirban Bhunia and published by Royal Society of Chemistry. This book was released on 2022-08-17 with total page 733 pages. Available in PDF, EPUB and Kindle. Book excerpt: NMR spectroscopy has found a wide range of applications in life sciences over recent decades. Providing a comprehensive amalgamation of the scattered knowledge of how to apply high-resolution NMR techniques to biomolecular systems, this book will break down the conventional stereotypes in the use of NMR for structural studies. The major focus is on novel approaches in NMR which deal with the functional interface of either protein-protein interactions or protein-lipid interactions. Bridging the gaps between structural and functional studies, the Editors believe a thorough compilation of these studies will open an entirely new dimension of understanding of crucial functional motifs. This in turn will be helpful for future applications into drug design or better understanding of systems. The book will appeal to NMR practitioners in industry and academia who are looking for a comprehensive understanding of the possibilities of applying high-resolution NMR spectroscopic techniques in probing biomolecular interactions.

The Nuclear Overhauser Effect in Structural and Conformational Analysis

Author : David Neuhaus
Publisher : Wiley-VCH
ISBN 13 :
Total Pages : 568 pages
Book Rating : 4.3/5 (91 download)

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Book Synopsis The Nuclear Overhauser Effect in Structural and Conformational Analysis by : David Neuhaus

Download or read book The Nuclear Overhauser Effect in Structural and Conformational Analysis written by David Neuhaus and published by Wiley-VCH. This book was released on 1989 with total page 568 pages. Available in PDF, EPUB and Kindle. Book excerpt: The Nuclear Overhauser Effect in Structural and Conformational Analysis, Second Edition, uniquely explains the NOE in detail, making it an indispensable resource for the novice as well as the experienced NMR researcher.

NMR in Structural Biology

Author : Kurt Wthrich
Publisher : World Scientific
ISBN 13 : 9789810223847
Total Pages : 770 pages
Book Rating : 4.2/5 (238 download)

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Book Synopsis NMR in Structural Biology by : Kurt Wthrich

Download or read book NMR in Structural Biology written by Kurt Wthrich and published by World Scientific. This book was released on 1995 with total page 770 pages. Available in PDF, EPUB and Kindle. Book excerpt: The volume presents a survey of the research by Kurt Wthrich and his associates during the period 1965 to 1994. A selection of reprints of original papers on the use of NMR spectroscopy in structural biology is supplemented with an introduction, which outlines the foundations and the historical development of the use of NMR spectroscopy for the determination of three-dimensional structures of biological macromolecules in solution. The original papers are presented in groups highlighting protein structure determination by NMR, studies of dynamic properties and hydration of biological macromolecules, and practical applications of the NMR methodology in fields such as enzymology, transcriptional regulation, immunosuppression and protein folding.

Protein NMR Spectroscopy

Author : John Cavanagh
Publisher : Elsevier
ISBN 13 : 008047103X
Total Pages : 915 pages
Book Rating : 4.0/5 (84 download)

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Book Synopsis Protein NMR Spectroscopy by : John Cavanagh

Download or read book Protein NMR Spectroscopy written by John Cavanagh and published by Elsevier. This book was released on 2010-07-21 with total page 915 pages. Available in PDF, EPUB and Kindle. Book excerpt: Protein NMR Spectroscopy, Second Edition combines a comprehensive theoretical treatment of NMR spectroscopy with an extensive exposition of the experimental techniques applicable to proteins and other biological macromolecules in solution. Beginning with simple theoretical models and experimental techniques, the book develops the complete repertoire of theoretical principles and experimental techniques necessary for understanding and implementing the most sophisticated NMR experiments. Important new techniques and applications of NMR spectroscopy have emerged since the first edition of this extremely successful book was published in 1996. This updated version includes new sections describing measurement and use of residual dipolar coupling constants for structure determination, TROSY and deuterium labeling for application to large macromolecules, and experimental techniques for characterizing conformational dynamics. In addition, the treatments of instrumentation and signal acquisition, field gradients, multidimensional spectroscopy, and structure calculation are updated and enhanced. The book is written as a graduate-level textbook and will be of interest to biochemists, chemists, biophysicists, and structural biologists who utilize NMR spectroscopy or wish to understand the latest developments in this field. - Provides an understanding of the theoretical principles important for biological NMR spectroscopy - Demonstrates how to implement, optimize and troubleshoot modern multi-dimensional NMR experiments - Allows for the capability of designing effective experimental protocols for investigations of protein structures and dynamics - Includes a comprehensive set of example NMR spectra of ubiquitin provides a reference for validation of experimental methods

Protein-ligand Interactions, Structure and Spectroscopy

Author : Stephen E. Harding
Publisher : Oxford University Press, USA
ISBN 13 : 9780199637478
Total Pages : 474 pages
Book Rating : 4.6/5 (374 download)

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Book Synopsis Protein-ligand Interactions, Structure and Spectroscopy by : Stephen E. Harding

Download or read book Protein-ligand Interactions, Structure and Spectroscopy written by Stephen E. Harding and published by Oxford University Press, USA. This book was released on 2001 with total page 474 pages. Available in PDF, EPUB and Kindle. Book excerpt: This text on protein-ligand interactions offers a selection of the most useful and easily applied methods and acts as a guide to the principal techniques used.

Bioinformatics for Glycobiology and Glycomics

Author : Claus-Wilhelm von der Lieth
Publisher : John Wiley & Sons
ISBN 13 : 9780470029602
Total Pages : 494 pages
Book Rating : 4.0/5 (296 download)

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Book Synopsis Bioinformatics for Glycobiology and Glycomics by : Claus-Wilhelm von der Lieth

Download or read book Bioinformatics for Glycobiology and Glycomics written by Claus-Wilhelm von der Lieth and published by John Wiley & Sons. This book was released on 2009-10-01 with total page 494 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book is the first to be dedicated to the bioinformatics of carbohydrates and glycoproteins. It provides an introduction to this emerging field of science both for the experimentalist working in glycobiology and glycomics, and also for the computer scientist looking for background information for the development of highly sophisticated algorithmic approaches. The book provides an overview of the state-of-the-art in the field, with reviews on databases, and the tools in use for analysis, interpretation, and prediction of the structures of complex carbohydrates, and demonstrates the value of bioinformatics for glycobiology. The availability of comprehensive databases and corresponding bioinformatics tools, to access and analyse the large amounts of experimental data relating to the structure of carbohydrates, will be a prerequisite for the success of the large-scale glycomics projects that aim to decipher new, so far unknown, biological functions of glycans. Efficient bioinformatics descriptions and tools can considerably enhance the efficiency of glycomics research, in terms of data quality, analysis and experimental costs. For a complete understanding of the molecular processes in which carbohydrates are involved, such as protein–carbohydrate interactions and the impact of glycosylation on protein function, knowledge of the 3D structure of the carbohydrate, the protein–carbohydrate complex, or the glycoprotein is often indispensable. This book provides a thorough introduction into methods used for conformational analysis of carbohydrates. Key features: Describes bioinformatic approaches to handle carbohydrate-active enzymes and glycosylation. Provides an overview on bioinformatics tools that facilitate analysis of carbohydrate structures. Gives introduction into molecular modelling of carbohydrate 3D structure and carbohydrates contained in the Protein Databank. Assumes only a basic knowledge of biology and bioinformatics.