Rsc publishing jan 2012 (3 Ergebnisse)

Buch. Zustand: Neu. Neuware - This book, aimed at academics, industrialists and post-graduates, documents the latest research into computer aided drug design. It starts with the theory and application of force-fields including: semi-empirical molecular orbital; density functional and ab initio calculations; Quantum Mechanical (QM) based modelling; the Atoms in Molecules (AIM) approach, and biomolecular dynamics. It then goes on to focus on the theory and application of 2D cheminformatics. This encompasses QSAR/QSPR; ADME properties of drugs; drug docking/scoring protocols and approaches; topological methodology, and modelling accurate inhibition constants of enzymes. The final chapters describe the theory and applications of multiscale modelling of proteins and biomolecular systems.…

Buch. Zustand: Neu. Neuware - Insects are more similar in structure and physiology to mammals than plants or fungi. Consequently, insecticides are often of greater toxicity to mammals than herbicides. However, some insecticides are targeted at structures or hormonal systems specific to insects (insect growth regulators/chitin synthesis inhibitors) so are less harmful but can still be mildly haematotoxic. There are, therefore, issues specific to insecticides, which do not occur with other pesticides - hence the need for a book specifically on insecticide toxicology in mammals. The book starts with general issues relating to the mammalian toxicity of insecticides, including target/non-target specificity, nomenclature and metabolism of insecticides. It then goes on to discuss specific types of insecticides.…

Buch. Zustand: Neu. Neuware - The aim of this meeting is to bring together experts in complex fluids, ionic systems and soft condensed matter sharing a common interest in charged fluids. The meeting aims to discuss fundamental experimental and theoretical aspects of the physical chemistry of RTILs. Discussions will also examine the state-of- the-art of experimental and theoretical developments regarding thermodynamics, interfacial behaviour, microscopic structure and molecular dynamics of ionic liquids as well as highlighting emerging problems, identifying new research directions. The book aims to maximize the dissemination of this information whilst helping to promote the interest of young scientists and students allowing a forum for them to interact with experts in ionic and molecular soft condensed matter. …