Crystallographic and Modeling Methods in Molecular Design

Crystallographic and Modeling Methods in Molecular Design

Author: Charles E. Bugg

Publisher: Springer Science & Business Media

Published: 2013-11-11

Total Pages: 292

ISBN-13: 1461233747

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This book contains the papers that were presented at the "Crystallo graphic and Modeling Methods in Molecular Design Symposium" in Gulf Shores, Alabama, April 30 to May 3, 1989. During the past few years, there has been a burst of activity in this area, especially related to drug design and protein engineering projects. The purpose of the symposium and this book is to provide an up-to date review of the most recent experimental and theoretical approaches that are being used for molecular design. The book covers several re cent examples of approaches for using crystallography in conjunction with forefront modeling methods for guiding the development of en zyme inhibitors and of peptides and proteins with modified biological and physical properties. In addition, this book contains discussions of new approaches for combining crystallographic data and advanced computational techniques for aiding in the design of enzyme inhibitors and other compounds that bind to selected biological targets. This book is therefore of interest not only to molecular biologists and biochem ists, but is stimulating reading for anyone involved in structural biol ogy, pharmaceutical chemistry, enzymology, protein engineering, and biotechnology. The meeting was the third in a series of symposia initiated and spon sored by the Department of Biochemistry, University of Alabama at Birmingham.


Crystallographic and Modeling Methods in Molecular Design

Crystallographic and Modeling Methods in Molecular Design

Author: Charles E. Bugg

Publisher: Springer

Published: 1990-07-23

Total Pages: 269

ISBN-13: 9780387972107

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This book contains the papers that were presented at the "Crystallo graphic and Modeling Methods in Molecular Design Symposium" in Gulf Shores, Alabama, April 30 to May 3, 1989. During the past few years, there has been a burst of activity in this area, especially related to drug design and protein engineering projects. The purpose of the symposium and this book is to provide an up-to date review of the most recent experimental and theoretical approaches that are being used for molecular design. The book covers several re cent examples of approaches for using crystallography in conjunction with forefront modeling methods for guiding the development of en zyme inhibitors and of peptides and proteins with modified biological and physical properties. In addition, this book contains discussions of new approaches for combining crystallographic data and advanced computational techniques for aiding in the design of enzyme inhibitors and other compounds that bind to selected biological targets. This book is therefore of interest not only to molecular biologists and biochem ists, but is stimulating reading for anyone involved in structural biol ogy, pharmaceutical chemistry, enzymology, protein engineering, and biotechnology. The meeting was the third in a series of symposia initiated and spon sored by the Department of Biochemistry, University of Alabama at Birmingham.


Reviews in Computational Chemistry, Volume 17

Reviews in Computational Chemistry, Volume 17

Author: Kenny B. Lipkowitz

Publisher: John Wiley & Sons

Published: 2003-05-08

Total Pages: 431

ISBN-13: 0471458813

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Computational chemistry is increasingly used in most areas of molecular science including organic, inorganic, medicinal, biological, physical, and analytical chemistry. Researchers in these fields who do molecular modelling need to understand and stay current with recent developments. This volume, like those prior to it, features chapters by experts in various fields of computational chemistry. Two chapters focus on molecular docking, one of which relates to drug discovery and cheminformatics and the other to proteomics. In addition, this volume contains tutorials on spin-orbit coupling and cellular automata modeling, as well as an extensive bibliography of computational chemistry books. FROM REVIEWS OF THE SERIES "Reviews in Computational Chemistry remains the most valuable reference to methods and techniques in computational chemistry."—JOURNAL OF MOLECULAR GRAPHICS AND MODELLING "One cannot generally do better than to try to find an appropriate article in the highly successful Reviews in Computational Chemistry. The basic philosophy of the editors seems to be to help the authors produce chapters that are complete, accurate, clear, and accessible to experimentalists (in particular) and other nonspecialists (in general)."—JOURNAL OF THE AMERICAN CHEMICAL SOCIETY


Guidebook on Molecular Modeling in Drug Design

Guidebook on Molecular Modeling in Drug Design

Author: N. Claude Cohen

Publisher: Gulf Professional Publishing

Published: 1996-04-26

Total Pages: 386

ISBN-13: 9780121782450

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The molecular modeling perspective in drug design. (N. Calude Cohen). Molecular graphics and modeling: tools of the trade. (Roderick E. Hubbard). Molecular modeling of small molecules. (Tamara Gund). Computer assisted new lead design. (Akiko Itai, Miho Yamada Mizutani, Yoshihiko Nishibata, and Nubuo Tomioka). Experimental techniques and data banks. (John P. Priestle and C. Gregory Paris). Computer-assisted drug discovery. (Peter Gund, Gerald Maggiora, and James P. Snyder). Modeling drug-receptor interactions. (Konrad F. Koehler, Shashidhar N. Rao, and James P. Snyder). Glossary of terminology. (J. P. Tollenaere).


Computational Structural Biology: Methods And Applications

Computational Structural Biology: Methods And Applications

Author: Torsten Schwede

Publisher: World Scientific

Published: 2008-05-02

Total Pages: 790

ISBN-13: 9814472417

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Computational structural biology has made tremendous progress over the last two decades, and this book provides a recent and broad overview of such computational methods in structural biology. It covers the impact of computational structural biology on protein structure prediction methods, macromolecular function and protein design, and key methods in drug discovery. It also addresses the computational challenges of experimental approaches in structural biology. In addition to reviewing the current state of computational structural biology, each chapter ends with a brief, visionary discussion on the future outlook, whereby the main challenges for the coming years are elucidated. Written by an international panel of expert contributors, this book can serve as a reference manual for students and practitioners alike.


Visualization of Receptors

Visualization of Receptors

Author: Gerard Morel

Publisher: CRC Press

Published: 1997-02-26

Total Pages: 458

ISBN-13: 9780849326448

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A multiplicity of methods for visualization are described in Visualization of Receptors. This book of techniques covers immunocytology, radioautography, in situ hybridization, plasmon resonance, RT in vitro PCR, and X-ray crystal structure analysis. Lecturers, researchers, practitioners, technicians, and students will find all the principles and protocols they require and the means of implementing them. Topics discussed include localization of ligands (in vitro or in vivo), visualization of immunoreactivities of ligand and receptor proteins, detection and quantification of mRNA expression, amplification of signals, and determination of 3-D structure. Details of protocols with illustrations of results and commentaries are provided throughout the book.


Molecular Mechanics Across Chemistry

Molecular Mechanics Across Chemistry

Author: Anthony K. Rappé

Publisher: University Science Books

Published: 1997-05-07

Total Pages: 480

ISBN-13: 9780935702774

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The remarkable breadth of modern molecular mechanics is covered in this textbook, developed for an undergraduate or first-time course on molecular mechanics. With applications ranging from drug design to homogeneous transition metal catalysis, the book implements a case-study approach designed to give readers exposure to the relevance and utility of molecular mechanics, as well as the opportunity to study a particular problem and its solution in depth.


Current Catalog

Current Catalog

Author: National Library of Medicine (U.S.)

Publisher:

Published: 1991

Total Pages: 700

ISBN-13:

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First multi-year cumulation covers six years: 1965-70.