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Molecular Modelling for Beginners [Paperback]

Alan Hinchliffe

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Book Description

Sep 4 2003 0470843101 978-0470843109 1
Presenting a concise, basic introduction to modelling and computational chemistry this text includes relevant introductory material to ensure greater accessibility to the subject.
  • Provides a comprehensive introduction to this evolving and developing field
  • Focuses on MM, MC, and MD with an entire chapter devoted to QSAR and Discovery Chemistry.
  • Includes many real chemical applications combined with worked problems and solutions provided in each chapter
  • Ensures that up-to-date treatment of a variety of chemical modeling techniques are introduced.

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Review

"…fun to read and is a very nice reference…a recommended read…" (Molecular Crystals and Liquid Crystals, Volume 442, 2005)

"…the narrative is unassuming and written as if the author is addressing the reader directly…. Hinchliffe succeeds in giving the reader an appreciation of the incredible complexity involved in making molecular predictions." (E-STREAMS, July 2004)

"This is a well produced, well written book that I have no hesitation in recommending to a beginner in molecular modeling.” (Journal of Medicinal Chemistry, Vol. 47 No. 12)

From the Back Cover

Molecular Modelling for Beginners is a concise, self-contained introduction to modelling and computational chemistry. Assuming only a basic knowledge of physical chemistry, physics and mathematics, relevant introductory material is provided to ensure greater accessibility to this exciting subject. Carefully structured, the text begins by presenting the fundamental theories that are based on classical mechanics, classical electrostatics and statistical thermodynamics. The focus is on Molecular Mechanics, Monte Carlo and Molecular Dynamics.

Emphasis is given to discovery chemistry and QSAR, and the text successfully combines essential theory with relevant applications and examples designed to encourage student understanding.

This text will appeal to those students taking undergraduate courses in chemistry, biochemistry and materials science who want to explore the latest techniques of molecular modelling.

  • a basic introduction to this exciting and developing field
  • includes many real-life chemical applications using associated software.
  • up-to-date treatment of the latest chemical modelling techniques

Inside This Book (Learn More)
First Sentence
A vast number of organic molecules are known. Read the first page
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Front Cover | Copyright | Table of Contents | Excerpt | Index
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Most Helpful Customer Reviews on Amazon.com (beta)
Amazon.com: 5.0 out of 5 stars  2 reviews
20 of 20 people found the following review helpful
5.0 out of 5 stars Fantastic Overview of a Very Complex Subject April 29 2006
By A Student - Published on Amazon.com
Format:Paperback
I found this book to be really informative. I was looking for something to help decipher the scientific literature around molecular dynamics and protein folding and this book fit the bill perfectly.

The only other comment I have is that the 'for beginners' part of the title may be a little misleading. Someone approaching this book should have a backround in organic chemistry, physics, and some solid math (linear algebra and multivariate calculus) to really enjoy it.
6 of 6 people found the following review helpful
5.0 out of 5 stars A very nice and concise Introduction Feb 11 2009
By gani999 - Published on Amazon.com
Format:Paperback
This is an excellent book. It offers a concise yet comprehensive view molecular modelling, and explains all the theory in a very lucid way. I will gladly recommend this book to anyone. However, as another reviewer pointed out, the math is fairly advanced. Mathematically challenged biologists or chemists will find this book very difficult, if not outright impossible despite the mathematical ad-memoire included as an appendix.

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