Computer Aided Drug Design English Edition PDF Download
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Author | : Dev Bukhsh Singh |
Publisher | : Springer Nature |
Total Pages | : 308 |
Release | : 2020-10-09 |
Genre | : Medical |
ISBN | : 9811568154 |
Download Computer-Aided Drug Design Book in PDF, ePub and Kindle
This book provides up-to-date information on bioinformatics tools for the discovery and development of new drug molecules. It discusses a range of computational applications, including three-dimensional modeling of protein structures, protein-ligand docking, and molecular dynamics simulation of protein-ligand complexes for identifying desirable drug candidates. It also explores computational approaches for identifying potential drug targets and for pharmacophore modeling. Moreover, it presents structure- and ligand-based drug design tools to optimize known drugs and guide the design of new molecules. The book also describes methods for identifying small-molecule binding pockets in proteins, and summarizes the databases used to explore the essential properties of drugs, drug-like small molecules and their targets. In addition, the book highlights various tools to predict the absorption, distribution, metabolism, excretion (ADME) and toxicity (T) of potential drug candidates. Lastly, it reviews in silico tools that can facilitate vaccine design and discusses their limitations.
Author | : Mohane S. Coumar |
Publisher | : Academic Press |
Total Pages | : 522 |
Release | : 2021-02-17 |
Genre | : Medical |
ISBN | : 0128223138 |
Download Molecular Docking for Computer-Aided Drug Design Book in PDF, ePub and Kindle
Molecular Docking for Computer-Aided Drug Design: Fundamentals, Techniques, Resources and Applications offers in-depth coverage on the use of molecular docking for drug design. The book is divided into three main sections that cover basic techniques, tools, web servers and applications. It is an essential reference for students and researchers involved in drug design and discovery. Covers the latest information and state-of-the-art trends in structure-based drug design methodologies Includes case studies that complement learning Consolidates fundamental concepts and current practice of molecular docking into one convenient resource
Author | : Ahindra Nag |
Publisher | : McGraw Hill Professional |
Total Pages | : 240 |
Release | : 2010-10-06 |
Genre | : Technology & Engineering |
ISBN | : 0071701257 |
Download Computer-Aided Drug Design and Delivery Systems Book in PDF, ePub and Kindle
THE LATEST BREAKTHROUGHS IN COMPUTER-AIDED DRUG DESIGN AND DELIVERY This definitive text provides in-depth information on computer-assisted techniques for discovering, designing, and optimizing new, effective, and safe drugs. Computer-Aided Drug Design and Delivery Systems offers objective and quantitative data on the use and delivery of drugs in humans. Enabling technologies such as bioinformatics, pharmacokinetics, biosensors, robotics, and bioinstruments are thoroughly discussed in this innovative work. Coverage includes: Computer-aided drug design (CADD) Drug delivery systems Bioinformatics of drug molecules and databases Lipase- and esterase-mediated drugs and drug intermediates Pharmacokinetics and pharmacodynamics of drugs Biomarkers, biosensors, and robotics in medicine Biomedical instrumentation
Author | : Dr. V. Ganesan |
Publisher | : Thakur Publication Private Limited |
Total Pages | : 168 |
Release | : 2021-03-10 |
Genre | : Education |
ISBN | : 9390972051 |
Download Computer Aided Drug Design (English Edition) Book in PDF, ePub and Kindle
Buy E-Book of Computer Aided Drug Design (English Edition) Book For B.Pharm 8th Semester of U.P. State Universities
Author | : Sheikh Arslan Sehgal |
Publisher | : Bentham Science Publishers |
Total Pages | : 126 |
Release | : 2021-09-16 |
Genre | : Science |
ISBN | : 9814998702 |
Download Quick Guideline for Computational Drug Design (Revised Edition) Book in PDF, ePub and Kindle
Bioinformatics allows researchers to answer biological questions with advanced computational methods which involves the application of statistics and mathematical modeling. Structural bioinformatics enables the prediction and analysis of 3D structures of macromolecules while Computer Aided Drug Designing (CADD) assists scientists to design effective active molecules against diseases. However, the concepts in structural bioinformatics and CADD can be complex to understand for students and educated laymen. This quick guideline is intended as a basic manual for beginner students and instructors involved in bioinformatics and computational chemistry courses. Readers will learn the basics of structural bioinformatics, primary and secondary analysis and prediction, structural visualization, structural analysis and molecular docking. The book provides the reader an easy to read summary of the tools and techniques in structural bioinformatics as well as their limitations. In this revised edition, the authors have updated information in a number of chapters with a specific focus on the section on protein structure visualization and evaluation. Additional information on protein-ligand interaction studies has also been provided in this new edition. Therefore, the book is a useful handbook for aspiring scholars who wish to learn the basic concepts in computational analysis of biomolecules.
Author | : Mithun Rudrapal |
Publisher | : Elsevier |
Total Pages | : 324 |
Release | : 2022-05-26 |
Genre | : Science |
ISBN | : 0323914330 |
Download Computer Aided Drug Design (CADD): From Ligand-Based Methods to Structure-Based Approaches Book in PDF, ePub and Kindle
Computer-Aided Drug Design (CADD): From Ligand-Based Methods to Structure-Based Approaches outlines the basic theoretical principles, methodologies and applications of different fundamental and advanced CADD approaches and techniques. Including information on current protocols as well as recent developments in the computational methods, tools and techniques used for rational drug design, the book explains the fundamental aspects of CADD, combining this with a practical understanding of the various in silico approaches used in modern drug discovery processes to assess the field in a comprehensive and systematic manner. Providing up-to-date, information and guidance for scientists, researchers, students and teachers, the book helps readers address specific academic and research related problems using illustrative explanations, examples and case studies, which are systematically reviewed. Highlights in silico approaches to drug design and discovery using computational tools and techniques Details ligand-based and structure-based drug design in a comprehensive and systematic approach Summarizes recent developments in computational drug design strategy as novel approaches of rational drug designing
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 | : Kenneth M. Merz |
Publisher | : Cambridge University Press |
Total Pages | : 289 |
Release | : 2010-05-31 |
Genre | : Medical |
ISBN | : 0521887232 |
Download Drug Design Book in PDF, ePub and Kindle
This book provides a complete snapshot of various experimental approaches to structure-based and ligand-based drug design and is illustrated with more than 200 images.
Author | : N. Claude Cohen |
Publisher | : Gulf Professional Publishing |
Total Pages | : 386 |
Release | : 1996-04-26 |
Genre | : Computers |
ISBN | : 9780121782450 |
Download Guidebook on Molecular Modeling in Drug Design Book in PDF, ePub and Kindle
The molecular modeling perspective in drug design. (N. Calude Cohen). Molecular graphics and modeling: tools of the trade. (Roderick E. Hubbard). Molecular modeling of small molecules. (Tamara Gund). Computer assisted new lead design. (Akiko Itai, Miho Yamada Mizutani, Yoshihiko Nishibata, and Nubuo Tomioka). Experimental techniques and data banks. (John P. Priestle and C. Gregory Paris). Computer-assisted drug discovery. (Peter Gund, Gerald Maggiora, and James P. Snyder). Modeling drug-receptor interactions. (Konrad F. Koehler, Shashidhar N. Rao, and James P. Snyder). Glossary of terminology. (J. P. Tollenaere).
Author | : Yvonne C. Martin |
Publisher | : CRC Press |
Total Pages | : 292 |
Release | : 2010-05-06 |
Genre | : Medical |
ISBN | : 1420071009 |
Download Quantitative Drug Design Book in PDF, ePub and Kindle
Since the publication of the first edition, the field has changed dramatically. Scientists can now explicitly consider 3D features in quantitative structure-activity relationship (QSAR) studies and often have the 3D structure of the macromolecular target to guide the 3D QSAR. Improvements in computer hardware and software have also made the methods