Quantum medicinal chemistry
By: edited by Paolo Carloni and Frank Alber.
Contributors: Carloni, Paolo.; Alber, Frank.
Publisher: Wiley-VCH
Published: 2002
Place of publication: Weinheim; Cambridge
Language: eng
Number of pages: 280
Subjects: Quantum chemistry.; Pharmaceutical chemistry.
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.