Docking Screens For Drug Discovery PDF Download
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Author | : Walter Filgueira de Azevedo Jr. |
Publisher | : Humana |
Total Pages | : 286 |
Release | : 2020-08-27 |
Genre | : Medical |
ISBN | : 9781493997541 |
Download Docking Screens for Drug Discovery Book in PDF, ePub and Kindle
This book focuses on recent developments in docking simulations for target proteins with chapters on specific techniques or applications for docking simulations, including the major docking programs. Additionally, the volume explores the scoring functions developed for the analysis of docking results and to predict ligand-binding affinity as well as the importance of docking simulations for the initial stages of drug discovery. Written for the highly successful Methods in Molecular Biology series, this collection presents the kind of detail and key implementation advice to ensure successful results. Authoritative and practical, Docking Screens for Drug Discovery aims to serve those interested in molecular docking simulation and also in the application of these methodologies for drug discovery.
Author | : Walter Filgueira de Azevedo Jr. |
Publisher | : Humana |
Total Pages | : 286 |
Release | : 2019-08-27 |
Genre | : Medical |
ISBN | : 9781493997510 |
Download Docking Screens for Drug Discovery Book in PDF, ePub and Kindle
This book focuses on recent developments in docking simulations for target proteins with chapters on specific techniques or applications for docking simulations, including the major docking programs. Additionally, the volume explores the scoring functions developed for the analysis of docking results and to predict ligand-binding affinity as well as the importance of docking simulations for the initial stages of drug discovery. Written for the highly successful Methods in Molecular Biology series, this collection presents the kind of detail and key implementation advice to ensure successful results. Authoritative and practical, Docking Screens for Drug Discovery aims to serve those interested in molecular docking simulation and also in the application of these methodologies for drug discovery.
Author | : Juan Alvarez |
Publisher | : CRC Press |
Total Pages | : 498 |
Release | : 2005-03-24 |
Genre | : Medical |
ISBN | : 1420028774 |
Download Virtual Screening in Drug Discovery Book in PDF, ePub and Kindle
Virtual screening can reduce costs and increase hit rates for lead discovery by eliminating the need for robotics, reagent acquisition or production, and compound storage facilities. The increased robustness of computational algorithms and scoring functions, the availability of affordable computational power, and the potential for timely structural
Author | : Vishwanath Gaitonde |
Publisher | : BoD – Books on Demand |
Total Pages | : 166 |
Release | : 2020-03-11 |
Genre | : Medical |
ISBN | : 1789239753 |
Download Drug Discovery and Development Book in PDF, ePub and Kindle
The process of drug discovery and development is a complex multistage logistics project spanned over 10-15 years with an average budget exceeding 1 billion USD. Starting with target identification and synthesizing anywhere between 10k to 15k synthetic compounds to potentially obtain the final drug that reaches the market involves a complicated maze with multiple inter- and intra-operative fields. Topics described in this book emphasize the progresses in computational applications, pharmacokinetics advances, and molecular modeling developments. In addition the book also contains special topics describing target deorphaning in Mycobacterium tuberculosis, therapy treatment of some rare diseases, and developments in the pediatric drug discovery process.
Author | : Ishika Saha |
Publisher | : American Chemical Society |
Total Pages | : 126 |
Release | : 2021-07-30 |
Genre | : Science |
ISBN | : 0841299137 |
Download Virtual Screening for Chemists Book in PDF, ePub and Kindle
Virtual Screening for Chemists focuses the discussion on principles underlying the most widely used methods for virtual screening today. References for more technical details have been provided where relevant. The authors have paid special attention to highlighting resources that are readily accessible to the academic community and hope these will facilitate your research aims. Demonstrative workflows have been included at the end of the e-book to allow you to familiarize yourself with the general steps involved in a virtual library screening pipeline. Familiarity with basic python and command line interface may be helpful in these examples, but scripts and execution instructions have been provided to guide you through the entire workflow. The input datasets used in the demonstrative examples are derived from the authors’ in-house virtual library, but the exercises may be adapted to other datasets of the reader’s choice.
Author | : Dimitrios Vlachakis |
Publisher | : BoD – Books on Demand |
Total Pages | : 190 |
Release | : 2018-07-11 |
Genre | : Science |
ISBN | : 1789233542 |
Download Molecular Docking Book in PDF, ePub and Kindle
Molecular docking has always been and will be on the forefront of developments in the eminent field of drug design and medicinal chemistry. At the early days, drug discovery was based on blackboard drawings and expert intuition. However, as times move on, the amount of available information and overall knowledge base that needs to be analyzed cannot be processed manually. This, coupled by the rapid growth in computational infrastructure and processing power, has allowed for the efficient use of molecular docking tools and algorithms to be considered in the greater field of drug discovery. In the postgenomic era, molecular docking has become the key player for the screening of hundreds of thousands of compounds against a repertoire of pharmacological targets.
Author | : Robert M. Stroud |
Publisher | : Royal Society of Chemistry |
Total Pages | : 171 |
Release | : 2008 |
Genre | : Medical |
ISBN | : 0854043659 |
Download Computational and Structural Approaches to Drug Discovery Book in PDF, ePub and Kindle
This insightful book represents the experience and understanding of the global experts in the field and spotlights both the structural and medicinal chemistry aspects of drug design. The need to 'encode' the physiological factors of pharmacology, a key area, is explored.
Author | : D. C. Young |
Publisher | : John Wiley & Sons |
Total Pages | : 344 |
Release | : 2009-01-28 |
Genre | : Science |
ISBN | : 9780470451847 |
Download Computational Drug Design Book in PDF, ePub and Kindle
Helps you choose the right computational tools and techniques to meet your drug design goals Computational Drug Design covers all of the major computational drug design techniques in use today, focusing on the process that pharmaceutical chemists employ to design a new drug molecule. The discussions of which computational tools to use and when and how to use them are all based on typical pharmaceutical industry drug design processes. Following an introduction, the book is divided into three parts: Part One, The Drug Design Process, sets forth a variety of design processes suitable for a number of different drug development scenarios and drug targets. The author demonstrates how computational techniques are typically used during the design process, helping readers choose the best computational tools to meet their goals. Part Two, Computational Tools and Techniques, offers a series of chapters, each one dedicated to a single computational technique. Readers discover the strengths and weaknesses of each technique. Moreover, the book tabulates comparative accuracy studies, giving readers an unbiased comparison of all the available techniques. Part Three, Related Topics, addresses new, emerging, and complementary technologies, including bioinformatics, simulations at the cellular and organ level, synthesis route prediction, proteomics, and prodrug approaches. The book's accompanying CD-ROM, a special feature, offers graphics of the molecular structures and dynamic reactions discussed in the book as well as demos from computational drug design software companies. Computational Drug Design is ideal for both students and professionals in drug design, helping them choose and take full advantage of the best computational tools available. Note: CD-ROM/DVD and other supplementary materials are not included as part of eBook file.
Author | : S. Balamurugan |
Publisher | : John Wiley & Sons |
Total Pages | : 354 |
Release | : 2021-10-19 |
Genre | : Computers |
ISBN | : 1119654718 |
Download Computation in BioInformatics Book in PDF, ePub and Kindle
COMPUTATION IN BIOINFORMATICS Bioinformatics is a platform between the biology and information technology and this book provides readers with an understanding of the use of bioinformatics tools in new drug design. The discovery of new solutions to pandemics is facilitated through the use of promising bioinformatics techniques and integrated approaches. This book covers a broad spectrum of the bioinformatics field, starting with the basic principles, concepts, and application areas. Also covered is the role of bioinformatics in drug design and discovery, including aspects of molecular modeling. Some of the chapters provide detailed information on bioinformatics related topics, such as silicon design, protein modeling, DNA microarray analysis, DNA-RNA barcoding, and gene sequencing, all of which are currently needed in the industry. Also included are specialized topics, such as bioinformatics in cancer detection, genomics, and proteomics. Moreover, a few chapters explain highly advanced topics, like machine learning and covalent approaches to drug design and discovery, all of which are significant in pharma and biotech research and development. Audience Researchers and engineers in computation biology, information technology, bioinformatics, drug design, biotechnology, pharmaceutical sciences.
Author | : Daniel A. Erlanson |
Publisher | : John Wiley & Sons |
Total Pages | : 524 |
Release | : 2016-02-23 |
Genre | : Medical |
ISBN | : 352733775X |
Download Fragment-based Drug Discovery Book in PDF, ePub and Kindle
From its origins as a niche technique more than 15 years ago, fragment-based approaches have become a major tool for drug and ligand discovery, often yielding results where other methods have failed. Written by the pioneers in the field, this book provides a comprehensive overview of current methods and applications of fragment-based discovery, as well as an outlook on where the field is headed. The first part discusses basic considerations of when to use fragment-based methods, how to select targets, and how to build libraries in the chemical fragment space. The second part describes established, novel and emerging methods for fragment screening, including empirical as well as computational approaches. Special cases of fragment-based screening, e. g. for complex target systems and for covalent inhibitors are also discussed. The third part presents several case studies from recent and on-going drug discovery projects for a variety of target classes, from kinases and phosphatases to targeting protein-protein interaction and epigenetic targets.