Computer Modeling of Chemical Reactions in Enzymes and Solutions

By Arieh Warshel

Book Overview

This practical reference explores computer modeling of enzyme reations--techniques that help chemists, biochemists and pharmaceutical researchers understand drug and enzyme action.

• Format: Hardcover
• Language: English
• ISBN: 0471533955
• ISBN13: 9780471533955
• Release Date: November 1991
• Publisher: Wiley-Interscience
• Length: 236 Pages
• Weight: 1.25 lbs.
• Dimensions: 9.4" x 1.0" x 6.5"

Customer Reviews

A classic

This book has become a classic in the field. While we now have more modern and efficient methods (like DFT) the basic approach remains the same, so it is still worth reading. The book comes with source code in Fortran. Its main problem is that you cannot download the code in the book from the Internet, but you can get revised, more modern versions, so it's not that bad after all. The source in the book is rather limited, oriented to illustrating the points and the calculations, but if you combine it with some other reference, like Allen-Tildesley's (the other major classic), it is enough to proceed with your own implementation (should you be interested in doing one). The math I found a bit difficult to follow as it does not match similar approaches in other quantum mechanics or molecular mechanics books, but once you get used to it, it is OK. Coverage is fair for the date it was written and sticks to the title topic covering it very well. It is worth reading to understand many of the modern approaches, how they work and what they mean. Actually, if you are interested in this topic (enzymatic reactions) your only other resource would be to gather a number of other books and combine their contents yourself in your mind. A lot more work than having this one. To a large extent, modern (as of 2010) work still relies mostly on the approaches exposed in this book, so it is bang for the buck, but it would be advisable to complement it with some readings on modern DFT approaches as these are now slowly taking over the semiempirical approaches described here.

knowing what really enzymes are about

Warshel has lead the field of computational enzyme catalysis for almost 30 years and this book contains the stuff that the rest of the world will adopt in the next decades. Don't miss the opportunity to know how enzymes work...