Computer-Aided Drug Design - read free eBook in online reader or directly download on the web page. Select files or add your book in reader. Download and read online ebook Computer-Aided Drug Design write by Dev Bukhsh Singh. This book was released on 2020-10-09. Computer-Aided Drug Design available 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.
Molecular Docking for Computer-Aided Drug Design
Molecular Docking for Computer-Aided Drug Design - read free eBook in online reader or directly download on the web page. Select files or add your book in reader. Download and read online ebook Molecular Docking for Computer-Aided Drug Design write by Mohane S. Coumar. This book was released on 2021-02-17. Molecular Docking for Computer-Aided Drug Design available 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
Computer-Aided Drug Design and Delivery Systems
Computer-Aided Drug Design and Delivery Systems - read free eBook in online reader or directly download on the web page. Select files or add your book in reader. Download and read online ebook Computer-Aided Drug Design and Delivery Systems write by Ahindra Nag. This book was released on 2010-10-06. Computer-Aided Drug Design and Delivery Systems available 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
Computer Aided Drug Design (CADD): From Ligand-Based Methods to Structure-Based Approaches
Computer Aided Drug Design (CADD): From Ligand-Based Methods to Structure-Based Approaches - read free eBook in online reader or directly download on the web page. Select files or add your book in reader. Download and read online ebook Computer Aided Drug Design (CADD): From Ligand-Based Methods to Structure-Based Approaches write by Mithun Rudrapal. This book was released on 2022-05-26. Computer Aided Drug Design (CADD): From Ligand-Based Methods to Structure-Based Approaches available 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
Computer-Aided Drug Discovery
Computer-Aided Drug Discovery - read free eBook in online reader or directly download on the web page. Select files or add your book in reader. Download and read online ebook Computer-Aided Drug Discovery write by Wei Zhang. This book was released on 2016-06-07. Computer-Aided Drug Discovery available in PDF, EPUB and Kindle. This detailed volume examines computer-aided drug discovery (CADD), a crucial component of modern drug discovery programs that is widely utilized to identity and optimize bioactive compounds for the development of new drugs. With a focus on the methods that are commonly used in the early stage of drug discovery, chapters explore computer simulation, structure prediction, conformational sampling, binding site mapping, docking and scoring, in silico screening, and fragment-based drug design. In addition to the state-of-the-art theoretical concept, this book also includes step-by-step, readily reproducible computational protocols as well as examples of various CADD strategies. The limitations and potential pitfalls of different computational methods are discussed by experts, and tips and advice for their applications are suggested. Practical and thorough, Computer-Aided Drug Discovery serves as an ideal addition to the Methods in Pharmacology and Toxicology series, guiding researchers toward their lab’s goals with this exciting and versatile technology.
