Molecular Orbital Calculations for Biological Systems by AnneMarie Sapse

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Item specifics

Condition
Like New: A book in excellent condition. Cover is shiny and undamaged, and the dust jacket is ...
Book Title
Molecular Orbital Calculations for Biological Systems
ISBN-13
9780195098730
ISBN
9780195098730
Category

About this product

Product Identifiers

Publisher
Oxford University Press, Incorporated
ISBN-10
0195098730
ISBN-13
9780195098730
eBay Product ID (ePID)
985048

Product Key Features

Number of Pages
256 Pages
Language
English
Publication Name
Molecular Orbital Calculations for Biological Systems
Subject
Life Sciences / Molecular Biology, Biochemistry, Pharmacology, Chemistry / Organic, Physics / Atomic & Molecular
Publication Year
1998
Type
Textbook
Subject Area
Science, Medical
Author
Anne-Marie Sapse
Series
Topics in Physical Chemistry Ser.
Format
Hardcover

Dimensions

Item Height
0.8 in
Item Weight
20.8 Oz
Item Length
9.3 in
Item Width
6.3 in

Additional Product Features

Intended Audience
College Audience
LCCN
97-037834
Reviews
1. Anne-Marie Sapse: Ab Initio Calculations 2. Nigel G. J. Richards: An Introduction to the Theoretical Basis of Semi-Empirical Quantum-Mechanical Methods for Biological Chemists 3. Jane S. Murray and Peter Politzer: The Molecular Electrostatic Potential: A Tool for Understanding and Predicting Molecular Interactions 4. Tomasz A. Wesolowski and Jacques Weber: Applications of Density Functional Theory to Biological Systems 6. Anne-Marie Sapse: Ab Initio Studies of Anti-Cancer Drugs 7. Lothar Schafer, Susan Q. Newton, and Xiaoqin Jiang: Ab Initio Calculations of Amino Acids and Peptides
Dewey Edition
21
Illustrated
Yes
Dewey Decimal
541.2/8/028553
Table Of Content
1. Ab Initio Calculations, Anne-Marie Sapse2. An Introduction to the Theoretical Basis of Semi-Empirical Quantum-Mechanical Methods for Biological Chemists, Nigel G. J. Richards3. The Molecular Electrostatic Potential: A Tool for Understanding and Predicting Molecular Interactions, Jane S. Murray and Peter Politzer4. Applications of Density Functional Theory to Biological Systems, Tomasz A. Wesolowski and Jacques Weber6. Ab Initio Studies of Anti-Cancer Drugs, Anne-Marie Sapse7. Ab Initio Calculations of Amino Acids and Peptides, Lothar Schäfer, Susan Q. Newton, and Xiaoqin Jiang
Synopsis
This is a hands-on guide for the growing number of researchers in organic chemistry, biochemistry, and molecular biology who would like to augment their experiments with theoretical calculations. Given the current availability of sophisticated software, non-quantum chemistry practitioners can obtain accurate computational results and save significant amounts of laboratory time. This book teaches the use of quantum chemical computer programs while side-stepping the complex mathematical details. The book focuses on what kinds of biological problems can be solved by quantum mechanical calculations and how to select the appropriate methods., This book is for the growing number of researchers in organic chemistry, biochemistry, and molecular biology who would like to augment their experiments with theoretical calculations. Give the current availability of sophisticated software, non-quantum chemistry practitioners can obtain accurate computational results and save significant amounts of laboratory time. This book teaches the use of quantum chemical computer programs without going into the complete mathematical details. It focuses on what kinds of biological problems can be solved by quantum mechanical calculations and how to select the appropriate methods., For the growing number of researchers in organic chemistry, biochemistry, and molecular biology who would like to augment their experiments with theoretical calculations, this book teaches the use of quantum chemical computer programs without going into the complete mathematical details., Molecular Orbital Calculations for Biological Systems is a hands-on guide to computational quantum chemistry and its applications in organic chemistry, biochemistry, and molecular biology. With improvements in software, molecular modeling techniques are now becoming widely available; they are increasingly used to complement experimental results, saving significant amounts of lab time. Common applications include pharmaceutical research and development; for example, ab initio and semi-empirical methods are playing important roles in peptide investigations and in drug design. The opening chapters provide an introduction for the non-quantum chemist to the basic quantum chemistry methods, ab initio, semi-empirical, and density functionals, as well as to one of the main families of computer programs, the Gaussian series. The second part then describes current research which applies quantum chemistry methods to such biological systems as amino acids, peptides, and anti-cancer drugs. Throughout the authors seek to encourage biochemists to discover aspects of their own research which might benefit from computational work. They also show that the methods are accessible to researchers from a wide range of mathematical backgrounds. Combining concise introductions with practical advice, this volume will be an invaluable tool for research on biological systems.
LC Classification Number
QP517.M66M65 1998

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