Описание: Providing a comprehensive overview of the drug discovery and development pipeline, this book focuses on the integral role that computational biology methods play in this process. Covering technological advances and their relation to drug developmental processes, readers are exposed to new methods of discovery utilising the available technology.
Описание: Updated and revised, this fourth edition of a bestseller provides current and comprehensive information on all aspects of drug design and discovery. The first part of the book covers general aspects, methods, and principles and the second section covers specific targets and diseases. Topics new to this edition include biostructure- and ligand-based drug design, natural products, imaging, neurotransmitter transporters, opioid and cannabinoid receptors, hypnotics, neglected diseases, and antibiotics. Each chapter includes references for further study. Most chapters also supply background and history needed to provide context, as well as conclusions that summarize the important points.
Автор: Atta-ur-Rahman Название: Drug Design and Discovery in Alzheimer`s Disease ISBN: 0128039590 ISBN-13(EAN): 9780128039595 Издательство: Elsevier Science Рейтинг: Цена: 15159.00 р. Наличие на складе: Поставка под заказ.
Описание:
Drug Design and Discovery in Alzheimer's Disease includes expert reviews of recent developments in Alzheimer's disease (AD) and neurodegenerative disease research. Originally published by Bentham as Frontiers in Drug Design and Discovery, Volume 6and now distributed by Elsevier, this compilation of the sixteen articles, written by leading global researchers, focuses on key developments in the understanding of the disease at molecular levels, identification and validation of molecular targets, as well as innovative approaches towards drug discovery, development, and delivery. Beginning with an overview of AD pharmacotherapy and existing blockbuster drugs, the reviews cover the potential of both natural and synthetic small molecules; the role of cholinesterases in the on-set and progression of AD and their inhibition; the role of beta-site APP clearing enzyme-1 (BACE-1) in the production of -amyloid proteins, one of the key reasons of the progression of AD; and other targets identified for AD drug discovery.
Edited and written by leading experts in Alzheimer's disease (AD) and other neurodegenerative disease drug development
Describes existing drugs for AD and current molecular understanding of the condition
Reviews recent advances in the field, including coverage of cholinesterases, BACE-1, and other drug development targets
Автор: Mohini Gore; Umesh B. Jagtap Название: Computational Drug Discovery and Design ISBN: 1493992767 ISBN-13(EAN): 9781493992768 Издательство: Springer Рейтинг: Цена: 12577.00 р. Наличие на складе: Поставка под заказ.
Описание: This volume details methods and techniques for identification of drug targets, binding sites prediction, high-throughput virtual screening,and prediction of pharmacokinetic properties using computer based methodologies. Chapters guide readers through techniques of the available computational tools, developing prediction models for drug target prediction and de novo design of ligands, structure based drug designing, fragment-based drug designing, molecular docking, and scoring functions for assessing protein-ligand docking protocols. Written in the highly successful Methods in Molecular Biology series format, chapters include introductions to their respective topics, lists of the necessary materials, step-by-step, readily reproducible protocols, and tips on troubleshooting and avoiding known pitfalls.Authoritative and cutting-edge, Computational Drug Discovery and Design aims to provide protocols for the use of bioinformatics tools in drug discovery and design.
Автор: Alexander Heifetz Название: Computational Methods for GPCR Drug Discovery ISBN: 1493974645 ISBN-13(EAN): 9781493974641 Издательство: Springer Рейтинг: Цена: 20962.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: This volume looks at modern computational strategies and techniques used in GPCR drug discovery including structure and ligand-based approaches and cheminformatics.
Описание: This volume entitled "European Computational Aerodynamics Research Project (ECARP)" contains the contributions of partners presented in two work- shops focused on the following areas: Task 3 on Optimum Design and Task 4.2 on Navier Stokes Flow algorithms on Massively Parallel Processors. ECARP has been supported by the European Union (EU) through the Indus- trial and Materials Technology Programme, Area 3 Aeronautics, with the Third Research Framework Programme (1990-1994). Part A of this volume is focused on computational constrained optimization as a follow up of the EU research project" Optimum Design in Aerodynamics," (AERO-S9-0026) dealing with more viscous flow based real applications. It pro- vides the reader with a set of optimization tools and referenced data useful in modern aerodynamic design. Task 3 of the project entitled "Optimum Design" brought together 13 Euro- pean partners from the academic and industrial aeronautic oriented community showing state of the art expertise in traditional automated optimization software on current computer technology to improve the capability to optimize aircraft shapes.
Автор: Wazwaz Abdul-Majid Название: First Course In Integral Equations, A (Second Edition) ISBN: 9814675121 ISBN-13(EAN): 9789814675123 Издательство: World Scientific Publishing Рейтинг: Цена: 6336.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: This second edition integrates the newly developed methods with classical techniques to give both modern and powerful approaches for solving integral equations.
Автор: Riccardo Baron Название: Computational Drug Discovery and Design ISBN: 1493962272 ISBN-13(EAN): 9781493962273 Издательство: Springer Рейтинг: Цена: 21661.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: Due to the rapid and steady growth of available low-cost computer power, the use of computers for discovering and designing new drugs is becoming a central topic in modern molecular biology and medicinal chemistry. In Computational Drug Discovery and Design: Methods and Protocols expert researchers in the field provide key techniques to investigate biomedical applications for drug developments based on computational chemistry. These include methods and techniques from binding sites prediction to the accurate inclusion of solvent and entropic effects, from high-throughput screening of large compound databases to the expanding area of protein-protein inhibition, toward quantitative free-energy approaches in ensemble-based drug design using distributed computing. Written in the highly successful Methods in Molecular Biology™ series format, chapters include introductions to their respective topics, reference to software and open source analysis tools, step-by-step, readily reproducible computational protocols, and key tips on troubleshooting and avoiding known pitfalls. Thorough and intuitive, Computational Drug Discovery and Design: Methods and Protocols aids scientists in the continuing study of state-of-the-art concepts and computer-based methodologies.
Автор: Turab Lookman Название: Materials Discovery and Design ISBN: 3319994646 ISBN-13(EAN): 9783319994642 Издательство: Springer Рейтинг: Цена: 23757.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: This book addresses the current status, challenges and future directions of data-driven materials discovery and design. It presents the analysis and learning from data as a key theme in many science and cyber related applications. The challenging open questions as well as future directions in the application of data science to materials problems are sketched. Computational and experimental facilities today generate vast amounts of data at an unprecedented rate. The book gives guidance to discover new knowledge that enables materials innovation to address grand challenges in energy, environment and security, the clearer link needed between the data from these facilities and the theory and underlying science. The role of inference and optimization methods in distilling the data and constraining predictions using insights and results from theory is key to achieving the desired goals of real time analysis and feedback. Thus, the importance of this book lies in emphasizing that the full value of knowledge driven discovery using data can only be realized by integrating statistical and information sciences with materials science, which is increasingly dependent on high throughput and large scale computational and experimental data gathering efforts. This is especially the case as we enter a new era of big data in materials science with the planning of future experimental facilities such as the Linac Coherent Light Source at Stanford (LCLS-II), the European X-ray Free Electron Laser (EXFEL) and MaRIE (Matter Radiation in Extremes), the signature concept facility from Los Alamos National Laboratory. These facilities are expected to generate hundreds of terabytes to several petabytes of in situ spatially and temporally resolved data per sample. The questions that then arise include how we can learn from the data to accelerate the processing and analysis of reconstructed microstructure, rapidly map spatially resolved properties from high throughput data, devise diagnostics for pattern detection, and guide experiments towards desired targeted properties. The authors are an interdisciplinary group of leading experts who bring the excitement of the nascent and rapidly emerging field of materials informatics to the reader.
Автор: Loging William T. Название: Bioinformatics and Computational Biology in Drug Discovery a ISBN: 1108461158 ISBN-13(EAN): 9781108461153 Издательство: Cambridge Academ Рейтинг: Цена: 5702.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: Providing a comprehensive overview of the drug discovery and development pipeline, this book focuses on the integral role that computational biology methods play in this process. Covering technological advances and their relation to drug developmental processes, readers are exposed to new methods of discovery utilising the available technology.
Автор: Alexander Heifetz Название: Computational Methods for GPCR Drug Discovery ISBN: 1493984942 ISBN-13(EAN): 9781493984947 Издательство: Springer Рейтинг: Цена: 15372.00 р. Наличие на складе: Поставка под заказ.
Описание: This volume looks at modern computational strategies and techniques used in GPCR drug discovery including structure and ligand-based approaches and cheminformatics. The chapters in this book describe how these approaches can be applied to address key drug discovery issues, such as receptor structure modelling, function and dynamics, prediction of protein-water-ligand interactions and binding kinetics, free energy of binding, interconversion between agonists and antagonists, deorphanization of GPCRs, and the discovery of biased and allosteric modulators. Written in the highly successful Methods in Molecular Biology series format, chapters include introductions to their respective topics, lists of the necessary software and tools, step-by-step, readily reproducible modelling protocols, and tips on troubleshooting and avoiding known pitfalls. Cutting-edge and unique,Computational Methods for GPCR Drug Discovery is a valuable resource for structural and molecular biologists, computational and medicinal chemists, pharmacologists, and drug designers.
Описание: Exploring the methodologies and applications ofcomputational tools in drug design, this book is a practical introduction to chemoinformatics, molecular modelling and computational chemistry for researchers.
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