Описание: A comprehensive introduction to inorganic chemistry and, specifically, the science of metal-based drugs, Essentials of Inorganic Chemistry describes the basics of inorganic chemistry, including organometallic chemistry and radiochemistry, from a pharmaceutical perspective.
Описание: Intends to define the area of pharmaceutical chemistry as distinct from medicinal chemistry. This book emphasizes on the physicochemical properties of drug molecules and, in so far as they are known, the way that these properties govern the interaction of the drug with its target.
Автор: Taku Onishi Название: Quantum Computational Chemistry ISBN: 9811059322 ISBN-13(EAN): 9789811059322 Издательство: Springer Рейтинг: Цена: 18294.00 р. Наличие на складе: Нет в наличии.
Описание:
This book is for both theoretical and experimental chemists to begin quantum molecular orbital calculations for functional materials. First, the theoretical background including the molecular orbital calculation method and modelling are explained. This is followed by an explanation of how to do modelling and calculation and to interpret calculated molecular orbitals, with many research examples in the field of batteries, catalysts, organic molecules and biomolecules. Finally, future trends in computational chemistry are introduced.
Описание: Accounts in Drug Discovery describes recent case studies in medicinal chemistry with a particular emphasis on how the inevitable problems that arise during any project can be surmounted or overcome.
Название: Computational Design Of Chemicals F ISBN: 1498741800 ISBN-13(EAN): 9781498741804 Издательство: Taylor&Francis Рейтинг: Цена: 39046.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: There is a compelling need for new drugs and efficient treatments against mosquito-borne diseases. Computational Design of Chemicals for the Control of Mosquitoes and Their Diseases explains how the search for new substances effective against mosquitoes and their diseases has benefited from the use of in silico techniques.
This book reviews the advances and challenges of structure-based drug design in the preclinical drug discovery process, addressing various diseases, including malaria, tuberculosis and cancer. Written by internationally recognized researchers, this edited book discusses how the application of the various in-silico techniques, such as molecular docking, virtual screening, pharmacophore modeling, molecular dynamics simulations, and residue interaction networks offers insights into pharmacologically active novel molecular entities. It presents a clear concept of the molecular mechanism of different drug targets and explores methods to help understand drug resistance. In addition, it includes chapters dedicated to natural-product- derived medicines, combinatorial drug discovery, the CryoEM technique for structure-based drug design and big data in drug discovery.
The book offers an invaluable resource for graduate and postgraduate students, as well as for researchers in academic and industrial laboratories working in the areas of chemoinformatics, medicinal and pharmaceutical chemistry and pharmacoinformatics.
Описание: This contributed volume offers a comprehensive discussion on how to design and discover pharmaceuticals using computational modeling techniques. The different chapters deal with the classical and most advanced techniques, theories, protocols, databases, and tools employed in computer-aided drug design (CADD) covering diverse therapeutic classes. Multiple components of Structure-Based Drug Discovery (SBDD) along with its workflow and associated challenges are presented while potential leads for Alzheimer’s disease (AD), antiviral agents, anti-human immunodeficiency virus (HIV) drugs, and leads for Severe Fever with Thrombocytopenia Syndrome Virus (SFTSV) disease are discussed in detail. Computational toxicological aspects in drug design and discovery, screening adverse effects, and existing or future in silico tools are highlighted, while a novel in silico tool, RASAR, which can be a major technique for small to big datasets when not much experimental data are present, is presented. The book also introduces the reader to the major drug databases covering drug molecules, chemicals, therapeutic targets, metabolomics, and peptides, which are great resources for drug discovery employing drug repurposing, high throughput, and virtual screening. This volume is a great tool for graduates, researchers, academics, and industrial scientists working in the fields of cheminformatics, bioinformatics, computational biology, and chemistry.
Автор: Bajorath Название: Chemoinformatics for Drug Discovery ISBN: 1118139100 ISBN-13(EAN): 9781118139103 Издательство: Wiley Рейтинг: Цена: 17733.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Название: Computational Medicinal Chemistry Set ISBN: 1782620915 ISBN-13(EAN): 9781782620914 Издательство: Royal Society of Chemistry Рейтинг: Цена: 126491.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: This set provides the latest information on harnessing quantitative and computational methods, including structure-based design, molecular modelling and simulation, for medicinal chemistry.
Описание: This book addresses the various classes of privileged scaffolds and covers the history of their discovery and use.
Автор: Nuska Tschammer Название: Chemokines ISBN: 3319140590 ISBN-13(EAN): 9783319140599 Издательство: Springer Рейтинг: Цена: 31915.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: Introduction.- Insights in the chemokine receptor structures and drug design approaches in chemokine receptors.- Therapeutic targeting of CXCR3 chemokine receptor by small molecules.- Allosteric modulation of chemokine receptors.- Chemokines and their receptors in CNS.- Chemokine receptors in allergy and inflammation
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