Anne-Marie Sapse (ed.)

Molecular Orbital Calculations for Biological Systems

Herausgeber: Sapse, Anne-Marie

• Gebundenes Buch

Produktbeschreibung

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.

Produktdetails

• Verlag: Oxford University Press, USA
• Seitenzahl: 256
• Erscheinungstermin: 12. November 1998
• Englisch
• Abmessung: 236mm x 162mm x 23mm
• Gewicht: 572g
• ISBN-13: 9780195098730
• ISBN-10: 0195098730
• Artikelnr.: 22053556

Inhaltsangabe

* Introduction
* 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
* 5: Lothar Schafer and John D. Ewbank: Om Comparing Experimental and
Calculated Structural Parameters
* 6: Anne-Marie Sapse: An Initio Studies of Anti-Cancer Drugs
* 7: Lothar Schafer, Susqan Q. Newton, and Xiaoqin Jiang: Ab Initio
Calculations of Amino Acids and Peptides