Modelling Molecular Structures
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Modelling Molecular Structures
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Author : Alan Hinchliffe
language : en
Publisher: Wiley
Release Date : 2000-10-03
Modelling Molecular Structures written by Alan Hinchliffe and has been published by Wiley this book supported file pdf, txt, epub, kindle and other format this book has been release on 2000-10-03 with Science categories.
The application of mathematical models to molecules has now reached maturity. Scientists as diverse as astrophysicists, biologists, chemists, materials scientists and zoologists can reach for their PC, Mac or laptop to model molecular phenomena of unbelievable complexity. Following the highly successful first edition of Modelling Molecular Structures, this newly updated edition is your guide through the myriad of applications for molecular modelling. This easy-to-read, highly illustrated text covers all areas of molecular modelling, including molecular dynamics, quantum mechanics, and the Hartree-Fock self-consistent field model, providing background information and critically discussing the latest techniques in the field. Covering developments in the field since the first publication, this title also includes updated text and new material on: * Molecular Dynamics * Dealing with the Solvent This title is an indispensable introduction for all chemists, materials scientists, molecular biologists, and researchers working in, and interested in, the field of molecular modelling.
Modelling Molecular Structures
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Author : Alan Hinchliffe
language : en
Publisher:
Release Date :
Modelling Molecular Structures written by Alan Hinchliffe and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on with categories.
This title is an indispensable introduction for all chemists, materials scientists, molecular biologists, and researchers working in, and interested in, the field of molecular modelling.
Modelling Molecular Structure And Reactivity In Biological Systems
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Author : Kevin Naidoo
language : en
Publisher: Royal Society of Chemistry
Release Date : 2007-10-31
Modelling Molecular Structure And Reactivity In Biological Systems written by Kevin Naidoo and has been published by Royal Society of Chemistry this book supported file pdf, txt, epub, kindle and other format this book has been release on 2007-10-31 with Science categories.
Computational and theoretical tools for understanding biological processes at the molecular level is an exciting and innovative area of science. Using these methods to study the structure, dynamics and reactivity of biomacromolecules in solution, computational chemistry is becoming an essential tool, complementing the more traditional methods for structure and reactivity determination. Modelling Molecular Structure and Reactivity in Biological Systems covers three main areas in computational chemistry; structure (conformational and electronic), reactivity and design. Initial sections focus on the link between computational and spectroscopic methods in the investigation of electronic structure. The use of Free Energy calculations for the elucidation of reaction mechanisms in enzymatic systems is also discussed. Subsequent sections focus on drug design and the use of database methods to determine ADME (absorption, distribution, metabolism, excretion) properties. This book provides a complete reference on state of the art computational chemistry practised on biological systems. It is ideal for researchers in the field of computational chemistry interested in its application to biological systems.
Molecules And Models
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Author : Arne Haaland
language : en
Publisher: OUP Oxford
Release Date : 2008-03-06
Molecules And Models written by Arne Haaland and has been published by OUP Oxford this book supported file pdf, txt, epub, kindle and other format this book has been release on 2008-03-06 with Science categories.
This book provides a systematic description of the molecular structures and bonding in simple compounds of the main group elements with particular emphasis on bond distances, bond energies and coordination geometries. The description includes the structures of hydrogen, halogen and methyl derivatives of the elements in each group, some of these molecules are ionic, some polar covalent. The survey of molecules whose structures conform to well-established trends is followed by representative examples of molecules that do not conform. We also describe electron donor-acceptor and hydrogen bonded complexes. Chemists use models to systematize our knowledge, to memorize information and to predict the structures of compounds that have not yet been studied. The book provides a lucid discussion of a number of models such as the Lewis electron-pair bond and the VSEPR models, the spherical and polarizable ion models, and molecular orbital calculations, and it outlines the successes and failures of each.
Bibliography On Molecular And Crystal Structure Models
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Author : Deane Kingsley Smith
language : en
Publisher:
Release Date : 1960
Bibliography On Molecular And Crystal Structure Models written by Deane Kingsley Smith and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1960 with Chemistry, Physical and theoretical categories.
Prentice Hall Molecular Model Set For General And Organic Chemistry
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Author : Pearson
language : en
Publisher: Prentice Hall
Release Date : 1997-09-05
Prentice Hall Molecular Model Set For General And Organic Chemistry written by Pearson and has been published by Prentice Hall this book supported file pdf, txt, epub, kindle and other format this book has been release on 1997-09-05 with categories.
Designed for general chemistry courses that consider a lot of organic examples, or for students who plan to continue in organic chemistry. This molecular model set can be used to construct realistic scale models illustrating the molecular structures of many thousands of compounds. With it one can build molecular models of representative compounds.
Molecular Modelling
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Author : Peter Bladon
language : en
Publisher: Royal Society of Chemistry
Release Date : 2019-05-02
Molecular Modelling written by Peter Bladon and has been published by Royal Society of Chemistry this book supported file pdf, txt, epub, kindle and other format this book has been release on 2019-05-02 with Science categories.
This book is a practical, easy to use guide for readers with limited experience of molecular modelling. It will provide students at the undergraduate and early postgraduate chemistry level with a similar entry to modelling. The needs of independent readers are catered for by the inclusion of instructions for acquiring and setting up a suitable computer. Unlike many other textbooks in this field, the authors avoid extensive discussion around complex mathematical foundations behind the methods, choosing instead to provide the reader with the choice of methods themselves. To further these aims of the book, compact discs are included that provide a comprehensive suite of modelling software and datasets. The continuing interest of the pharmaceutical industry in molecular modelling in early stage drug design is recognized by the inclusion of chapters Medicinal Chemistry and Drug Discovery. There is a chapter on modelling of the solid state, a subject that is also of importance for pharma, where problems due to polymorphism in the crystalline forms of drugs are often encountered in the later design stages.
Models And Algorithms For Biomolecules And Molecular Networks
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Author : Bhaskar DasGupta
language : en
Publisher: John Wiley & Sons
Release Date : 2016-01-26
Models And Algorithms For Biomolecules And Molecular Networks written by Bhaskar DasGupta 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 2016-01-26 with Science categories.
By providing expositions to modeling principles, theories, computational solutions, and open problems, this reference presents a full scope on relevant biological phenomena, modeling frameworks, technical challenges, and algorithms. Up-to-date developments of structures of biomolecules, systems biology, advanced models, and algorithms Sampling techniques for estimating evolutionary rates and generating molecular structures Accurate computation of probability landscape of stochastic networks, solving discrete chemical master equations End-of-chapter exercises
An Introduction To Molecular Modelling From Theory To Application
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Author : Dimitrios Vlachakis
language : en
Publisher: Lulu.com
Release Date : 2007-11-01
An Introduction To Molecular Modelling From Theory To Application written by Dimitrios Vlachakis and has been published by Lulu.com this book supported file pdf, txt, epub, kindle and other format this book has been release on 2007-11-01 with Science categories.
A brief introduction to the basic knowledge underlying modern molecular modelling
Molecular Modelling And Drug Design
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Author : K Anand Solomon
language : en
Publisher: MJP Publisher
Release Date : 2019-06-05
Molecular Modelling And Drug Design written by K Anand Solomon and has been published by MJP Publisher this book supported file pdf, txt, epub, kindle and other format this book has been release on 2019-06-05 with Science categories.
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.