RSC Publishing

Drug Design Strategies

Computational Techniques and Applications

Januar 2012 · 464 S. · Geb. · 9781849731676 · GBP £ 139,99

This book documents the latest research into the theory and application of force-fields, semi-empirical molecular orbital, density functional and ab initio calculations, Quantum Mechanical (QM) based modelling, Atoms in Molecules (AIM) approach, and biomolecular dynamics. It also covers theory and application of 2D cheminformatics, QSAR/QSPR, ADME properties of drugs, drug docking/scoring protocols and approaches, topological methodology, and modelling accurate inhibition constants of enzymes. Finally, the book gives the theory and applications of multiscale modelling of proteins and biomolecular systems.

Dr Lee Banting BSc(Hons) PhD MRSC CChem, is at the Centre of Molecular Design, School of Pharmacy and Biomedical Sciences, University of Portsmouth, UK. He is a Senior Lecturer in Medicinal Chemistry and is on the Editorial Board of Natural Product Communications.

Marine Pollution and Human Health

edited byR. E. Hester  & R. M. Harrison

November 2011 · 130 S. · Geb.· 9781849732406 · GBP £ 65,00

There is growing concern about the state of the world’s oceans. The rapid growth of human populations in coastal regions has led to increasing dependence on marine resources. Beneficial features related to food supply and life style need to be balanced against the hazards presented by microbial pathogens, chemical pollutants, and toxic algal blooms.In this book, a group of experts from a range of backgrounds review the key aspects of the marine environment in relation to human health. An initial overview explains the need for integrating a range of disciplines, from physical oceanography and marine biology to molecular biology and epidemiology. Only by this approach can we hope to predict the consequences of environmental change and exploitation of natural resources upon our coastal ecosystems and, ultimately, on society and human health.

Ronald E Hester is at the University of York, UK and Roy M Harrison OBE is at the University of Birmingham, UK