Computer Aided Molecular Design
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Computer Aided Molecular Design
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Author : Luke Achenie
language : en
Publisher: Elsevier
Release Date : 2002-11-20
Computer Aided Molecular Design written by Luke Achenie and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2002-11-20 with Science categories.
CAMD or Computer Aided Molecular Design refers to the design of molecules with desirable properties. That is, through CAMD, one determines molecules that match a specified set of (target) properties. CAMD as a technique has a very large potential as in principle, all kinds of chemical, bio-chemical and material products can be designed through this technique. This book mainly deals with macroscopic properties and therefore does not cover molecular design of large, complex chemicals such as drugs. While books have been written on computer aided molecular design relating to drugs and large complex chemicals, a book on systematic formulation of CAMD problems and solutions, with emphasis on theory and practice, which helps one to learn, understand and apply the technique is currently unavailable. · This title brings together the theoretical aspects related to Computer Aided Molecular Design, the different techniques that have been developed and the different applications that have been reported. · Contributing authors are among the leading researchers and users of CAMD · First book available giving a systematic formulation of CAMD problems and solutions
Computer Aided Molecular Design
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Author : Jean-Pierre Doucet
language : en
Publisher: Elsevier
Release Date : 1996-03-05
Computer Aided Molecular Design written by Jean-Pierre Doucet and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 1996-03-05 with Computers categories.
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
Molecular Docking For Computer Aided Drug Design
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Author : Mohane S. Coumar
language : en
Publisher: Academic Press
Release Date : 2021-02-17
Molecular Docking For Computer Aided Drug Design written by Mohane S. Coumar and has been published by Academic Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2021-02-17 with Medical categories.
Molecular Docking for Computer-Aided Drug Design: Fundamentals, Techniques, Resources and Applications offers in-depth coverage on the use of molecular docking for drug design. The book is divided into three main sections that cover basic techniques, tools, web servers and applications. It is an essential reference for students and researchers involved in drug design and discovery. Covers the latest information and state-of-the-art trends in structure-based drug design methodologies Includes case studies that complement learning Consolidates fundamental concepts and current practice of molecular docking into one convenient resource
Computer Aided Molecular Design
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Author :
language : en
Publisher:
Release Date : 1988
Computer Aided Molecular Design written by and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1988 with categories.
Computer Aided Molecular Design
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Author : William Graham Richards
language : en
Publisher:
Release Date : 1989-01-01
Computer Aided Molecular Design written by William Graham Richards and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1989-01-01 with Computer-aided design categories.
Computer Aided Molecular Design
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Author : Charles H. Reynolds
language : en
Publisher: Wiley-VCH
Release Date : 1995-07-27
Computer Aided Molecular Design written by Charles H. Reynolds and has been published by Wiley-VCH this book supported file pdf, txt, epub, kindle and other format this book has been release on 1995-07-27 with Computers categories.
Developed from a symposium sponsored by the Division of Computers in Chemistry and the Division of Agrochemicals at the 207th National Meeting of the American Chemical Society, San Diego, California, March 13-17, 1994.
Computer Aided Molecular Design
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Author :
language : en
Publisher:
Release Date : 1995
Computer Aided Molecular Design written by and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1995 with categories.
Computer Aided Molecular Design
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Author :
language : en
Publisher:
Release Date : 1985
Computer Aided Molecular Design written by and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1985 with Biomolecules categories.
Computer Aided Molecular Design
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Author : Charles H. Reynolds
language : en
Publisher: Wiley-VCH
Release Date : 1995-07-27
Computer Aided Molecular Design written by Charles H. Reynolds and has been published by Wiley-VCH this book supported file pdf, txt, epub, kindle and other format this book has been release on 1995-07-27 with Science categories.
Molecular Design
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Author : Gisbert Schneider
language : en
Publisher: John Wiley & Sons
Release Date : 2008-02-26
Molecular Design written by Gisbert Schneider and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2008-02-26 with Science categories.
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).