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Computational Drug Discovery and Design, Riccardo Baron


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Цена: 21661.00р.
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Автор: Riccardo Baron
Название:  Computational Drug Discovery and Design
ISBN: 9781493962273
Издательство: Springer
Классификация:
ISBN-10: 1493962272
Обложка/Формат: Paperback
Страницы: 628
Вес: 1.22 кг.
Дата издания: 23.08.2016
Серия: Methods in Molecular Biology
Язык: English
Издание: Softcover reprint of
Иллюстрации: 41 tables, black and white; xvii, 628 p.
Размер: 254 x 178 x 33
Читательская аудитория: General (us: trade)
Основная тема: Biomedicine
Ссылка на Издательство: Link
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Поставляется из: Германии
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.
Дополнительное описание: A Molecular Dynamics Ensemble-Based Approach for the Mapping of Druggable Binding Sites.-Analysis of Protein Binding Sites by Computational Solvent Mapping.-Evolutionary Trace for Prediction and Redesign of Protein Functional Sites.- Information Entropic



Textbook of Drug Design and Discovery, Fifth Edition

Название: Textbook of Drug Design and Discovery, Fifth Edition
ISBN: 1498702783 ISBN-13(EAN): 9781498702782
Издательство: Taylor&Francis
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Цена: 19906.00 р.
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Описание:

Building on the success of the previous editions, the Textbook of Drug Design and Discovery, Fifth Edition, has been thoroughly revised and updated to provide a complete source of information on all facets of drug design and discovery for students of chemistry, pharmacy, pharmacology, biochemistry, and medicine. The information is presented in an up-to-date review form with an underlying and fundamental focus on the educational aspects.

Beginning with an introduction to drug design and discovery, the first eight chapters cover molecular recognition, ligand-based drug design, and biostructure-based drug design. The authors also discuss drug-like properties and decision making in medicinal chemistry, chemical biology, natural products in drug discovery, and in vivo imaging in drug discovery.

The middle six chapters provide an overview of peptide and protein drug design, prodrugs in drug design and development, and enzyme inhibitors. The authors also go through receptors (structure, function, and pharmacology), ion channels (structure and function), and neurotransmitter transporters (structure, function, and drug binding).

The following chapters address important neurotransmitter systems, GABA and glutamic acid receptors and transporter ligands, acetylcholine, histamine, dopamine and serotonin, and opioid and cannabinoid receptors. The book concludes with an examination of neglected diseases, anticancer agents, tyrosine kinase receptors, and antibiotics.

Drug Design and Discovery in Alzheimer`s Disease

Автор: Atta-ur-Rahman
Название: Drug Design and Discovery in Alzheimer`s Disease
ISBN: 0128039590 ISBN-13(EAN): 9780128039595
Издательство: Elsevier Science
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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
Pharmacokinetic Profiling in Drug Research: Biological, Physicochemical, and Computational Strategies

Автор: Bernard Testa
Название: Pharmacokinetic Profiling in Drug Research: Biological, Physicochemical, and Computational Strategies
ISBN: 3906390357 ISBN-13(EAN): 9783906390352
Издательство: Wiley
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Цена: 35949.00 р.
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Описание: Informatics and robotics are the workhorses of a technological revolution in drug research. On them are based combinatorial chemistry, which yields compounds by the many thousands, and high-throughput bioassays, which screen them for activity. The results are avalanches of `hits`, which invade the databases like swarms of locusts.

Bioinformatics and Computational Biology in Drug Discovery and Development

Автор: Loging
Название: Bioinformatics and Computational Biology in Drug Discovery and Development
ISBN: 0521768004 ISBN-13(EAN): 9780521768009
Издательство: Cambridge Academ
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Цена: 9186.00 р.
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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.

Computational Methods for GPCR Drug Discovery

Автор: Alexander Heifetz
Название: Computational Methods for GPCR Drug Discovery
ISBN: 1493974645 ISBN-13(EAN): 9781493974641
Издательство: Springer
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Цена: 20962.00 р.
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Описание: This volume looks at modern computational strategies and techniques used in GPCR drug discovery including structure and ligand-based approaches and cheminformatics.

In Silico Drug Discovery & Design,

Название: In Silico Drug Discovery & Design,
ISBN: 148221783X ISBN-13(EAN): 9781482217834
Издательство: Taylor&Francis
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Цена: 29093.00 р.
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Описание: This text provides an overview of the current methodological strategies in computer-aided drug discovery and design.

Drug Design and Discovery

Автор: Seetharama D. Satyanarayanajois
Название: Drug Design and Discovery
ISBN: 1493958240 ISBN-13(EAN): 9781493958245
Издательство: Springer
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Цена: 16070.00 р.
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Описание: Research in the pharmaceutical sciences and medicinal chemistry has taken an important new direction in the past two decades with a focus on large molecules, especially peptides and proteins, as well as DNA therapeutics. In Drug Design and Discovery: Methods and Protocols, leading experts provide an in-depth view of key protocols that are commonly used in drug discovery laboratories. Covering both classic and cutting-edge techniques, this volume explores computational docking, quantitative structure-activity relationship (QSAR), peptide synthesis, labeling of peptides and proteins with fluorescent labels, DNA-microarray, zebrafish model for drug screening, and other analytical screening and biological assays that are routinely used during the drug discovery process. 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 laboratory protocols, and tips on troubleshooting and avoiding known pitfalls. Thorough and accessible, Drug Design and Discovery: Methods and Protocols serve as a vital laboratory reference for pharmaceutical chemists, medicinal chemists, and pharmacologists as well as for molecular biologists.

Frontiers in Computational Chemistry

Автор: Zaheer Ul-Haq
Название: Frontiers in Computational Chemistry
ISBN: 1608059790 ISBN-13(EAN): 9781608059799
Издательство: Elsevier Science
Рейтинг:
Цена: 19201.00 р.
Наличие на складе: Поставка под заказ.

Описание:

"Frontiers in Computational Chemistry," originally published by Bentham and now distributed by Elsevier, presents the latest research findings and methods in the diverse field of computational chemistry, focusing on molecular modeling techniques used in drug discovery and the drug development process. This includes computer-aided molecular design, drug discovery and development, lead generation, lead optimization, database management, computer and molecular graphics, and the development of new computational methods or efficient algorithms for the simulation of chemical phenomena including analyses of biological activity. In Volume 2, the authors continue the compendium with nine additional perspectives in the application of computational methods towards drug design. This volume covers an array of subjects from modern hardware advances that accelerate new antibacterial peptide identification, electronic structure methods that explain how singlet oxygen damages DNA, to QSAR model validation, the application of DFT and DFRT methods on understanding the action of nitrogen mustards, the design of novel prodrugs using molecular mechanics and molecular orbital methods, computational simulations of lipid bilayers, high throughput screening methods, and more.
Brings together a wide range of research into a single collection to help researchers keep up with new methodsUniquely focuses on computational chemistry approaches that can accelerate drug designMakes a solid connection between experiment and computation, and the novel application of computational methods in the fields of biology, chemistry, biochemistry, physics, and biophysics

Frontiers in Computational Chemistry vol 1

Автор: Zaheer Ul-Haq
Название: Frontiers in Computational Chemistry vol 1
ISBN: 1608058654 ISBN-13(EAN): 9781608058655
Издательство: Elsevier Science
Рейтинг:
Цена: 19201.00 р.
Наличие на складе: Поставка под заказ.

Описание: Frontiers in Computational Chemistry, originally published by Bentham and now distributed by Elsevier, presents the latest research findings and methods in the diverse field of computational chemistry, focusing on molecular modeling techniques used in drug discovery and the drug development process. This includes computer-aided molecular design, drug discovery and development, lead generation, lead optimization, database management, computer and molecular graphics, and the development of new computational methods or efficient algorithms for the simulation of chemical phenomena including analyses of biological activity. In Volume 1, the leading researchers in the field have collected eight different perspectives in the application of computational methods towards drug design to provide an up-to-date rendering of the current field. This volume covers a variety of topics from G protein-coupled receptors, to the use of cheminformatics and bioinformatics, computational tools such as Molecular Mechanics Poisson-Boltzmann Surface Area, protein-protein interactions, the use of computational methods on large biological data sets, various computational methods used to identify pharmaceutically relevant targets, and more.

Translational Medicine and Drug Discovery

Автор: Littman
Название: Translational Medicine and Drug Discovery
ISBN: 1107435943 ISBN-13(EAN): 9781107435940
Издательство: Cambridge Academ
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Цена: 8870.00 р.
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Описание: This book focuses on the new discipline of translational medicine as it pertains to drug development within the pharmaceutical and biotechnology industry. It is essential for anyone interested in translational medicine from a variety of backgrounds: university institutes, medical schools, pharmaceutical companies and drug development researchers and decision-makers.

Developability of Biotherapeutics: Computational Approaches

Автор: Sandeep Kumar
Название: Developability of Biotherapeutics: Computational Approaches
ISBN: 1482246139 ISBN-13(EAN): 9781482246131
Издательство: Taylor&Francis
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Цена: 24499.00 р.
Наличие на складе: Есть у поставщика Поставка под заказ.

Описание:

Biopharmaceuticals are emerging as frontline medicines to combat several life-threatening and chronic diseases. However, such medicines are expensive to develop and produce on a commercial scale, contributing to rising healthcare costs. Developability of Biotherapeutics: Computational Approaches describes applications of computational and molecular modeling techniques that improve the overall process of discovery and development by removing empiricism.

The concept of developability involves making rational choices at the pre-clinical stages of biopharmaceutical drug development that could positively impact clinical outcomes. The book also addresses a general lack of awareness of the many different contributions that computation can make to biopharmaceutical drug development.

This informative and practical reference is a valuable resource for professionals engaged in industrial research and development, scientists working with regulatory agencies, and pharmacy, medicine, and life science students and educators. It focuses primarily on the developability of monoclonal antibody candidates, but the principles described can also be extended to other modalities such as recombinant proteins, fusion proteins, antibody drug conjugates and vaccines.

The book is organized into two sections. The first discusses principles and applications of computational approaches toward discovering and developing biopharmaceutical drugs. The second presents best practices in developability assessments of early-stage biopharmaceutical drug candidates.

In addition to raising awareness of the promise of computational research, this book also discusses solutions required to improve the success rate of translating biologic drug candidates into products available in the clinic. As such, it is a rich source of information on current principles and practices as well as a starting point for finding innovative applications of computation towards biopharmaceutical drug development.


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