Molecular design and modeling
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Molecular design and modeling concepts and applications. by

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Published by Academic Press in San Diego, London .
Written in English


Book details:

Edition Notes

Statementedited by John J. Langone.
SeriesMethods in enzymology -- v.202
ContributionsLangone, John J.
The Physical Object
Paginationxxxi, 824p. :
Number of Pages824
ID Numbers
Open LibraryOL22233894M
ISBN 10012182103X

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The purpose of this book is precisely to review in such a language both methodological aspects and the most important applications of computer-aided molecular design (CAMD), with a special emphasis on drug design and protein modeling. As molecular graphics plays an indispensable role in CAMD, its basic concepts are first described and Cited by:   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 Edition: 1. TAMARA GUND, in Guidebook on Molecular Modeling in Drug Design, I. INTRODUCTION Molecular modeling, like art, means different things to different the theoretician, it is often considered to be insufficiently rigorous to be taken seriously. To the experimentalist, it may be too theoretical and too removed from experiment to be considered pertinent.   This book is a systematic presentation of the methods that have been developed for the interpretation of molecular modeling to the design of new chemicals. The main feature of the compilation is the co-ordination of the various scientific disciplines required for the generation of new Edition: 1.

  Molecular modeling has become a valuable and essential tool to medicinal chemists in the drug design process. Molecular modeling describes the generation, manipulation or representation of three-dimensional structures of molecules and associated physico-chemical properties. It involves a range of computerized techniques based on theoretical chemistry Cited by: Molecular design software is software for molecular modeling, that provides special support for developing molecular models de novo.. In contrast to the usual molecular modeling programs, such as for molecular dynamics and quantum chemistry, such software directly supports the aspects related to constructing molecular models, including. Molecular graphics.   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 and , as are genetic and chemical methods for the production of functional molecules including antibodies and antigens, enzymes, receptors. The results, however, have not become easier to understand. Addressing the need for a "workshop-oriented" book, Molecular Modeling Basics provides the fundamental theory needed to understand not only what molecular modeling programs do, but also the gist of research papers that describe molecular modeling results.

The Modeling & Design of Molecular Materials (MDMM ) conference is an interdisciplinary meeting that will be devoted to the various aspects of conceiving materials with pre-defined key term is “molecular material” which in the context of the conference means drugs and drug carriers (focused on cancer), catalysts with emphasis on photocatalysts . "This book covers many different aspects of protein modeling and is just one volume in an extremely large series . might be useful as an overview of the various techniques and methods used for the molecular modeling of proteins." (Andrzej Kloczkowski and Robert L. Jernigan, Journal of the American Chemical Society, Vol. (37), ). "Molecular Materials with Specific Interactions: Modeling and Design" has a very interdisciplinary character and is intended to provide 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. COVID Resources. Reliable information about the coronavirus (COVID) is available from the World Health Organization (current situation, international travel).Numerous and frequently-updated resource results are available from this ’s WebJunction has pulled together information and resources to assist library staff as they consider how to handle .