Ebook Download Molecular Modelling: Principles and Applications (2nd Edition)
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Molecular Modelling: Principles and Applications (2nd Edition)
Ebook Download Molecular Modelling: Principles and Applications (2nd Edition)
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From the Back Cover
This important new edition is for postgraduate students of Chemistry, Medicinal Chemistry and Biochemistry studying Molecular Modelling and Computational Chemistry. The book will also be useful to researchers in academia and in the pharmaceutical and chemical industries and to those teaching or attending courses in molecular modelling. This new edition provides background theory in the techniques of molecular modelling, illustrated with applications form the physical, chemical and biological sciences. It includes simple numerical examples and numerous explanatory figures and a colour plate section. Key changes in this new edition * expanded coverage of materials science and solid-state modelling * extended chapter on drug design and chemoinformatics* new chapter on protein structure including bioinformatics* expanded coverage of Density Functional Theory Dr Andrew Leach is a Group Leader at Glaxo Wellcome Research and Development Limited and a Visiting Fellow at the Department of Chemistry, University of Southampton, UK
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About the Author
Dr. Andrew Leach is a Group Leader in Computational Chemistry and Informatics at Glaxo Wellcome Research and Development.
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Product details
Paperback: 784 pages
Publisher: Pearson; 2 edition (February 9, 2001)
Language: English
ISBN-10: 0582382106
ISBN-13: 978-0582382107
Product Dimensions:
6.7 x 1.8 x 9 inches
Shipping Weight: 3.2 pounds (View shipping rates and policies)
Average Customer Review:
5.0 out of 5 stars
10 customer reviews
Amazon Best Sellers Rank:
#608,219 in Books (See Top 100 in Books)
In this book, Andrew Leach has done a great job in describing almost every important concept, sundry as well as significant, from the field of computational chemistry and molecular modeling. From basic but very useful topics like atom types, Z matrices, and force field parametrization, to advanced ones like Ewald Sums and Low Mode Monte Carlo conformational searching, Leach gives due importance to everything. The discussions on quantum mechanics in the first few chapters are moderate on the mathematics without shying away from it, and provide just the right amount of detail. Later chapters cover the whole gamut of computational techniques, from molecular dynamics and molecular mechanics, to molecular similarity and QSAR. Examples that are relevant in chemistry and biology are scattered throughout the book and illustrate every key idea. There are many good books for computational chemistry and molecular modeling, and some are good for a few topics, others for other ones. However, if one wants to get a grip on all important topics in the area, I think this is the most comprehensive reference that one can look up.
This book is the gold standard survey of the fields of computational chemistry and molecular modeling. It is excellent for advanced undergraduates interested in the material, and also for graduate students working through rotations, course work, qualifying exams, and independent exploration. I also found it just plain interesting to read.When the book was recommended to me, a colleague cautioned, "the only problem with the Leach book is how it communicates a superficial clarity--don't be mistaken in thinking you really understand the guts of the problem just because Leach communicates it so well." The advice was absolutely on point, and I think it serves to illustrate how well Leach has hit the target.
A must have classic for simulation&theory people!
EXCELLENT textbook for beginners in molecular and computational biophysics
Great book in great condition!
As we all know it's a great book on the subject, so there's nothing much to say about the book itself. The delivery was faster than expected and the book was in good shape. 5 stars !!!
Well, indeed it was a present and was not my idea.But my son, who's got the book, loves it ! Thanks.
This book is the black bible of molecular modeling.It covers all the topics in the field, starting from Quantum Chemistry, to Molecular Mechanics, Molecular Dynamics, Bioinformatics, Cheminformatics and Pharmainformatics in enough depth to provide an accurate view of the basic methods employed, how are they applied and what should they used for.It will prove most valuable to people starting in Molecular Modeling and wanting to know which methods are available, when and how should they be used and why with just the bare knowledge needed to understand what goes behind.If you want to get a quick and dirty introduction, then I find the work of Grant and Richards will provide an executive summary suitable for a one week course introduction. But if you really want to do anything useful analyzing data and performing molecular simulations spanning the whole range of the field then this is your book.If instead you are only interested in one sub-field, e.g. performing quantum chemistry calculations you may be more interested in texts with a more limited scope, like Young's Computational Chemistry (great for understanding how and when to use quantum methods without understanding them).
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