Computer Modeling of Chemical Reactions in Enzymes and Solutions (Wiley Professional) [Paperback]

Arieh Warshel (Author)

Book Description

ISBN-10: 0471184403 | ISBN-13: 978-0471184409 | Publication Date: March 1, 1997 | Edition: 1

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

Editorial Reviews

Review

". . . strongly recommended to scientists and students who want to advance beyond the menu screen and graphic user interface of their computer.".--Journal of Medicinal Chemistry

From the Publisher

Examines computer modeling of enzyme reactions (including enzyme kinetics), techniques popular in the fields of physical, organic, and biochemistry as well as pharmaceutical research. Includes practical computer exercises and sample computer programs which can be run on a PC. The programs serve as simple illustrations of the different concepts of computer modeling and as an introduction to more versatile computer modeling packages which can be run on mainframes. Also provides an introduction to the rapidly growing field of computer simulation and modeling of macromolecules, emphasizing structure-function correlation in proteins and the action of enzymes.

Product Details

• Paperback: 256 pages
• Publisher: Wiley-Interscience; 1 edition (March 1, 1997)
• Language: English
• ISBN-10: 0471184403
• ISBN-13: 978-0471184409
• Product Dimensions: 9.2 x 6.1 x 0.5 inches
• Shipping Weight: 13 ounces (View shipping rates and policies)
• Average Customer Review: 4.5 out of 5 stars  See all reviews (2 customer reviews)
• Amazon Best Sellers Rank: #3,668,083 in Books (See Top 100 in Books)

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Customer Reviews

Most Helpful Customer Reviews

4.0 out of 5 stars A classic, January 26, 2010

By 

Jose R. Valverde Carrillo "jrvalverde" (EMBnet/CNB, Madrid Spain) - See all my reviews

This review is from: Computer Modeling of Chemical Reactions in Enzymes and Solutions (Wiley Professional) (Paperback)

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.

5.0 out of 5 stars knowing what really enzymes are about, March 7, 2001

By A Customer

This review is from: Computer Modeling of Chemical Reactions in Enzymes and Solutions (Hardcover)

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...