ENGLISH

Quantum Medicinal Chemistry

By Raimund Mannhold , Hugo Kubinyi , Paolo Carloni , Frank Alber , Gerd Folkers

Book information

Publisher
Wiley-VCH
Year
2003
ISBN
9783527304561, 3-527-30456-8
Open Library ID
OL18185844M
Language
english
Format
PDF
Filesize
3 MB (2908325 bytes)
Series
Methods and principles in medicinal chemistry 17
Edition
1
Pages
292\292
Topic
Chemistry
Library
mexmat
Time added
2009-07-20 03:45:11
Химия и химическая промышленность;Квантовая химия

Description

Computational methods are transforming the work of chemical and pharmaceutical laboratories. Increasingly faster and more exact simulation algorithms have made quantum chemistry a valuable tool in the search for active substances.Written by a team of leading international quantum chemists, this book is aimed at both beginners as well as experienced users of quantum chemical methods. All commonly used quantum chemical methods are treated here, including Density Functional Theory, quantum and molecular mechanical approaches. Numerous examples illustrate the use of these methods for dealing with problems in pharmaceutical practice, whether the study of inhibitor binding, identifying the surface load of active substances or deriving molecular descriptors using quantum chemical tools.For anyone striving to stay ahead in this rapidly evolving field.

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