Molecular Modelling: Principles and Applications (2nd Edition)
||Author: Andrew R. Leach|
List Price: $83.00
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Publisher: Prentice Hall (30 March, 2001)
Sales Rank: 33,972
Average Customer Rating: 4.6 out of 5
Customer ReviewsRating: 5 out of 5
If you could choose only one book about molecular modelling - this should be it. Everything is covered, more or less thourough, from ab initio to molecular docking, algorithms, force fields, molecular dynamics, etc. It is well written, but also works well if you want to look up single key words. The book can be read by novices to molecular modelling as well as it is useful for experts. I can highly recommend it.
Rating: 5 out of 5
Review by a molecular tyro
I'd like to recommend this book from the perspective of someone who is new to the field. I have only an informal background in chemistry and biology and an undergraduate physics degree that's 20 years old. Mr. Leach works through a broad range of material, from numeric solutions to the quantum equations for a molecule to algorithms for searching through the conformational space. His descriptions have to be concise in order to fit the enormous volume of material he has to cover, yet I found that I had no trouble following along. He often takes a historical approach. I found this effective. I would find myself wandering down blind alleys when examining the early solutions, then read the later art and have a greater appreciation for the problem than if the ultimate answer were presented first. I have been able to use much of the book as a practical guide in my work.
Frankly, I'm amazed that someone with a professional life can find the time to put together a book of this scope.
Rating: 4 out of 5
Good overview of the field
Leach provides a very good overview of the entire computational chemistry field, discussing everything from ab initio quantum mechanical methods to molecular mechanics. The book is fairly easy to read and is appropriate for beginners. However, I did detect certain typographical errors in sections of the book discussing QM methods that may confuse those just being introduced to the field. Hopefully these will be removed in later printings. For a more detailed discussion of QM methods try Introduction to Computational Chemistry by Jensen.
· Understanding Molecular Simulation
· Molecular Modeling and Simulation