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Crystallographic And Modeling Methods In Molecular Design
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Book Synopsis Crystallographic and Modeling Methods in Molecular Design by : Charles E. Bugg
Download or read book Crystallographic and Modeling Methods in Molecular Design written by Charles E. Bugg and published by Springer Science & Business Media. This book was released on 2013-11-11 with total page 292 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Book Synopsis Computer-Aided Molecular Design by : Jean-Pierre Doucet
Download or read book Computer-Aided Molecular Design written by Jean-Pierre Doucet and published by Elsevier. This book was released on 1996-03-05 with total page 517 pages. Available in PDF, EPUB and Kindle. Book excerpt: The computer-aided design of novel molecular systems has undoubtedly reached the stage of a mature discipline offering a broad range of tools available to virtually any chemist. However, there are few books coveringmost of these techniques in a single volume and using a language which may generally be understood by students or chemists with a limited knowledge of theoretical chemistry. The purpose of this book is precisely to review, in such a language, both methodological aspects and important applications of computer-aided molecular design (CAMD), with a special emphasis on drug design and protein modeling. Using numerous examples ranging from molecular models to shapes, surfaces, and volumes, Computer-Aided Molecular Design provides coverage of the role molecular graphics play in CAMD. The text also treats the very notion of the structure of molecular systems by presenting both the various experimental techniques giving access to it and the most common model builders based on force fields. Separate chapters are devoted to other important topics in CAMD, such as Monte Carlo and molecular dynamics simulations; most common quantum chemical methods; derivation and visualization of molecular properties; and molecular similarity. Finally, strategies used in protein modeling and drug design, such as receptor mapping and the pharmacophore approach, are presented and illustrated by several examples. The book is addressed to students and researchers who wish to enter this new exciting field of molecular sciences, but also practitioners in CAMD as a comprehensive source of refreshing information in their field. Key Features * Presents a comprehensive introduction to computer-aided molecular design * Describes applications of CAMD through the use of numerous examples * Emphasizes strategies used in protein modeling and drug design * Includes separate chapters devoted to other important topics in CAMD, such as: * Monte Carlo and molecular dynamics simulations * Common quantum chemical methods * Derivation and visualization of molecular properties * Molecular similarity
Book Synopsis Guidebook on Molecular Modeling in Drug Design by : N. Claude Cohen
Download or read book Guidebook on Molecular Modeling in Drug Design written by N. Claude Cohen and published by Gulf Professional Publishing. This book was released on 1996-04-26 with total page 386 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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).
Book Synopsis Molecular Design by : Gisbert Schneider
Download or read book Molecular Design written by Gisbert Schneider and published by John Wiley & Sons. This book was released on 2008-02-26 with total page 284 pages. Available in PDF, EPUB and Kindle. Book excerpt: Kleine Moleküle für Einsteiger: Dieser für Lehre und Selbststudium gleichermaßen geeignete Band behandelt den computergestützten Entwurf von Wirkstoffen, Enzyminhibitoren, Sonden und Markern für Biomoleküle und führt den Leser bis zum ersten eigenen De-Novo-Design eines funktionellen Moleküls. Gestützt auf lange Erfahrung im Molecular-Modeling-Umfeld erläutern die Autoren, welche Fragen mit den beschriebenen Methoden beantwortet werden können (und welche nicht).
Book Synopsis Molecular Modelling and Drug Design by : K Anand Solomon
Download or read book Molecular Modelling and Drug Design written by K Anand Solomon and published by MJP Publisher. This book was released on 2019-06-05 with total page 242 pages. Available in PDF, EPUB and Kindle. Book excerpt: Molecular modelling is the scientific art of simulating chemicalor biological systems, so that computational methods can beapplied to understand the process concerned. Models usingcomputers are generated using mathematical equations and areevolved based on experimental information that is taken intoconsideration during model building. This book is anintroduction to the field of molecular modelling and drug designin which biological molecules effective in treating diseases arediscovered using in silico methods.
Book Synopsis Structure-Based Drug Design by : Pandi Veerapandian
Download or read book Structure-Based Drug Design written by Pandi Veerapandian and published by Routledge. This book was released on 2018-03-29 with total page 665 pages. Available in PDF, EPUB and Kindle. Book excerpt: Introducing the most recent advances in crystallography, nuclear magnetic resonance, molecular modeling techniques, and computational combinatorial chemistry, this unique, interdisciplinary reference explains the application of three-dimensional structural information in the design of pharmaceutical drugs. Furnishing authoritative analyses by world-renowned experts, Structure-Based Drug Design discusses protein structure-based design in optimizing HIV protease inhibitors and details the biochemical, genetic, and clinical data on HIV-1 reverse transcriptase presents recent results on the high-resolution three-dimensional structure of the catalytic core domain of HIV-1 integrase as a foundation for divergent combination therapy focuses on structure-based design strategies for uncovering receptor antagonists to treat inflammatory diseases demonstrates a systematic approach to the design of inhibitory compounds in cancer treatment reviews current knowledge on the Interleukin-1 (IL-1) system and progress in the development of IL-1 modulators describes the influence of structure-based methods in designing capsid-binding inhibitors for relief of the common cold and much more!
Book Synopsis Reviews in Computational Chemistry, Volume 17 by : Kenny B. Lipkowitz
Download or read book Reviews in Computational Chemistry, Volume 17 written by Kenny B. Lipkowitz and published by John Wiley & Sons. This book was released on 2003-05-08 with total page 431 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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
Book Synopsis Molecular and Crystal Structure Models by : Anne Walton
Download or read book Molecular and Crystal Structure Models written by Anne Walton and published by . This book was released on 1978 with total page 216 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Computational Structural Biology: Methods And Applications by : Torsten Schwede
Download or read book Computational Structural Biology: Methods And Applications written by Torsten Schwede and published by World Scientific. This book was released on 2008-05-02 with total page 790 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Book Synopsis Engineering Crystallography: From Molecule to Crystal to Functional Form by : Kevin J. Roberts
Download or read book Engineering Crystallography: From Molecule to Crystal to Functional Form written by Kevin J. Roberts and published by Springer. This book was released on 2017-07-18 with total page 481 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Book Synopsis Molecular Mechanics Across Chemistry by : Anthony K. Rappé
Download or read book Molecular Mechanics Across Chemistry written by Anthony K. Rappé and published by University Science Books. This book was released on 1997-05-07 with total page 480 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Book Synopsis Engineering of Crystalline Materials Properties by : Juan J. Novoa
Download or read book Engineering of Crystalline Materials Properties written by Juan J. Novoa and published by Springer Science & Business Media. This book was released on 2007-12-14 with total page 520 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume collects the state of the art in molecular materials. It collects the lecture notes of a series of lectures given by some of the best specialists in the field at the 2007 Erice International School of Crystallography, and also a NATO-ASI course. The school first established "where we are" in terms of modeling, design, synthesis and applications of crystalline solids with predefined properties and then defined current and possible futuristic lines of development.
Book Synopsis Molecular Materials with Specific Interactions - Modeling and Design by : W. Andrzej Sokalski
Download or read book Molecular Materials with Specific Interactions - Modeling and Design written by W. Andrzej Sokalski and published by Springer Science & Business Media. This book was released on 2007-05-06 with total page 597 pages. Available in PDF, EPUB and Kindle. Book excerpt: Design of new molecular materials is emerging as a new interdisciplinary research field. Corresponding reports are scattered in literature, and this book constitutes one of the first attempts to overview ongoing research efforts. It provides basic information, as well as the details of theory and examples of its application, to experimentalists and theoreticians interested in modeling molecular properties and putting into practice rational design of new materials.
Book Synopsis Theoretical Aspects and Computer Modeling of the Molecular Solid State by : Angelo Gavezzotti
Download or read book Theoretical Aspects and Computer Modeling of the Molecular Solid State written by Angelo Gavezzotti and published by John Wiley & Sons. This book was released on 1997-03-06 with total page 256 pages. Available in PDF, EPUB and Kindle. Book excerpt: The theoretical aspects of crystal packing, the study of the nature and magnitude of the forces that hold molecules together in organic crystals, and of the most favourable arrangements of molecules in crystals are dealt with in this book. After an introductory chapter on the definition and relevance of symmetry in crystal packing, a chapter deals with the physical foundations of weak intermolecular forces and with their simulation by quantum chemical methods. Subsequently, the relationships between crystal structure and crystal thermodynamics are described using empirical intermolecular potentials to bridge the gap by computer modelling.
Book Synopsis National Library of Medicine Current Catalog by : National Library of Medicine (U.S.)
Download or read book National Library of Medicine Current Catalog written by National Library of Medicine (U.S.) and published by . This book was released on 1991 with total page 968 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Molecular Modeling Applications in Crystallization by : Allan S. Myerson
Download or read book Molecular Modeling Applications in Crystallization written by Allan S. Myerson and published by Cambridge University Press. This book was released on 1999-06-28 with total page 370 pages. Available in PDF, EPUB and Kindle. Book excerpt: The first book to introduce molecular modeling and its applications in crystallization - written by leading experts in the field.
Book Synopsis Molecular Design and Modeling by : John Joseph Langone
Download or read book Molecular Design and Modeling written by John Joseph Langone and published by Gulf Professional Publishing. This book was released on 1991 with total page 864 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computer-based design and modeling, computational approaches, and instrumental methods for elucidating molecular mechanisms of protein folding and ligand-acceptor interactions are included in Volumes 202 and 203, as are genetic and chemical methods for the production of functional molecules including antibodies and antigens, enzymes, receptors, nucleic acids and polysaccharides, and drugs.
