Modelling Molecular Structure and Reactivity in Biological Systems

Modelling Molecular Structure and Reactivity in Biological Systems
Author: Kevin Naidoo
Publisher: Royal Society of Chemistry
Total Pages: 305
Release: 2007-10-31
Genre: Science
ISBN: 1847555373

Download Modelling Molecular Structure and Reactivity in Biological Systems Book in PDF, Epub and Kindle

Computational and theoretical tools for understanding biological processes at the molecular level is an exciting and innovative area of science. Using these methods to study the structure, dynamics and reactivity of biomacromolecules in solution, computational chemistry is becoming an essential tool, complementing the more traditional methods for structure and reactivity determination. Modelling Molecular Structure and Reactivity in Biological Systems covers three main areas in computational chemistry; structure (conformational and electronic), reactivity and design. Initial sections focus on the link between computational and spectroscopic methods in the investigation of electronic structure. The use of Free Energy calculations for the elucidation of reaction mechanisms in enzymatic systems is also discussed. Subsequent sections focus on drug design and the use of database methods to determine ADME (absorption, distribution, metabolism, excretion) properties. This book provides a complete reference on state of the art computational chemistry practised on biological systems. It is ideal for researchers in the field of computational chemistry interested in its application to biological systems.


Modelling Molecular Structure and Reactivity in Biological Systems
Language: en
Pages: 305
Authors: Kevin Naidoo
Categories: Science
Type: BOOK - Published: 2007-10-31 - Publisher: Royal Society of Chemistry

GET EBOOK

Computational and theoretical tools for understanding biological processes at the molecular level is an exciting and innovative area of science. Using these met
QM/MM Studies of Light-responsive Biological Systems
Language: en
Pages: 350
Authors: Tadeusz AndruniĆ³w
Categories: Science
Type: BOOK - Published: 2020-10-27 - Publisher: Springer Nature

GET EBOOK

This book, a consecutive contribution to the series Challenges and Advances in Computational Chemistry and Physics, focuses on understanding the photoinduced pr
Computer Simulation of Biomolecular Systems
Language: en
Pages: 664
Authors: W.F. van Gunsteren
Categories: Science
Type: BOOK - Published: 1997-11-30 - Publisher: Springer Science & Business Media

GET EBOOK

This book is the third volume in this highly successful series. Since the first volume in 1989 and the second in 1993, many exciting developments have occurred
Molecular Modelling and Drug Design
Language: en
Pages: 242
Authors: K Anand Solomon
Categories: Science
Type: BOOK - Published: 2019-06-05 - Publisher: MJP Publisher

GET EBOOK

Molecular modelling is the scientific art of simulating chemicalor biological systems, so that computational methods can beapplied to understand the process con
Theoretical Biochemistry
Language: en
Pages: 719
Authors: Leif A. Eriksson
Categories: Science
Type: BOOK - Published: 2001-02-19 - Publisher: Elsevier

GET EBOOK

Theoretical chemistry has been an area of tremendous expansion and development over the past decade; from an approach where we were able to treat only a few ato