Molecular Modeling: Basic Principles and Applications [Paperback]

Hans-Dieter Höltje (Author), Wolfgang Sippl (Author), Didier Rognan (Author), Gerd Folkers (Author)

Book Description

ISBN-10: 3527315683 | ISBN-13: 978-3527315680 | Publication Date: March 18, 2008 | Edition: 3

Ideal for beginners, this book explains the basics of modeling in a competent yet easily understandable way. Following complete sections on the modeling of small molecules, protein modeling and chemogenomics, completely worked-out examples show the way to the reader's first modeling experiment.

This new, third edition features a new chapter on chemogenomics, reflecting the trend towards 'chemical biology', as well as the protein modeling example being completely rewritten for a better 'feel' of modeling complex biomolecules.

The authors are experienced university teachers who regularly hold courses on molecular modeling, making this a tried-and-tested text for teachers. It is equally valuable for experts, since it is the only book to evaluate the strengths and limitations of the molecular modeling techniques and software currently available.

Editorial Reviews

Review

"Beginners as well as experts in the field of biochemistry, molecular biology, and drug development will find this book quite handy and useful. The third edition is justified given the rapid development of hardware and software tools and other advances in the applications of molecular modeling techniques." (Doody's, April 2009)

"The authors are experienced university lecturers and as a result of their teaching practices the textbook provides teachers with a tried-and-tested learning material. The text is equally valuable to experts" (International Journal of Bioautomation, April 2009)

"An excellent resource as an introduction to molecular modelling techniques … .I can particularly recommend this book to academics." (Journal of Medicinal Chemistry, September 2008)

From the Publisher

With the growing speed of today's computers, molecular modeling is becoming an increasingly popular method for conducting experiments on the computer before applying the results in the laboratory. These techniques allow the computer-aided generation of molecular structures as well as the computation of molecular properties. Prediction of three-dimensional structures, visualizations of molecular surface properties, and optimization of drug-receptor interactions by visual inspection can all be achieved by molecular modeling. Written by experienced experts in molecular modeling, this book describes the various pitfalls to molecular modeling and provides the information necessary to reliably judge the modeling results. In a clear and concise manner, the title leads the reader from simple modeling calculations for small molecules to the complex modeling systems used to simulate protein and other relevant biomolecules. Both practitioners in industry and academia will find this introduction to be an invaluable reference for the daily use of molecular modeling. --This text refers to an out of print or unavailable edition of this title.

See all Editorial Reviews

Product Details

• Paperback: 320 pages
• Publisher: Wiley-VCH; 3 edition (March 18, 2008)
• Language: English
• ISBN-10: 3527315683
• ISBN-13: 978-3527315680
• Product Dimensions: 6.8 x 0.6 x 9.6 inches
• Shipping Weight: 1.3 pounds (View shipping rates and policies)
• Average Customer Review: 3.0 out of 5 stars  See all reviews (2 customer reviews)
• Amazon Best Sellers Rank: #1,158,948 in Books (See Top 100 in Books)

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Customer Reviews

Most Helpful Customer Reviews

10 of 12 people found the following review helpful:

2.0 out of 5 stars Accelrys advertisement, January 16, 2007

By 

Nitric Acid (Detroit, MI) - See all my reviews

This review is from: Molecular Modeling: Basic Principles and Applications (Paperback)

This book describes what is essentially docking calculations in the context of the Accerlys software. The text is very qualitative and does not provide enough instruction to do any "molecular modeling". It seems to be more guidlines for various software packages sold by Accerlys.

4.0 out of 5 stars Useful textbook, April 4, 2010

By 

M. Zlatovic (Belgrade, Serbia) - See all my reviews
(REAL NAME)   

This review is from: Molecular Modeling: Basic Principles and Applications (Paperback)

Well, I had both 2nd and 3rd edition of this book and I think that this is a good introduction to molecular modeling. If you are searching for a cook book, leave this aside. Also, if you already have nice experience in the field, this would be a dull reading material for you. But, if you are a hard core bench chemist wondering how they do it with those computers and what the heck can they actually do or you are a novice wanting to get an insight to molecular modeling, this is a nice book for you. Lots of references (that were fresh when the book was issued), easy reading, nice style makes this book very useful as some basic molecular modeling course material.
Not so good things: it would be nice if there are more case studies, and most useful would be those using tools and things available to larger academic (read: with lower budget) auditorium, like students.
Nevertheless, I'll go for a 4 stars, this is a good book.