[Set Computational Drug Discovery ] Computational Drug Delivery]
Title | [Set Computational Drug Discovery ] Computational Drug Delivery] PDF eBook |
Author | Pooja A Chawla |
Publisher | |
Pages | 0 |
Release | 2024-12-14 |
Genre | Computers |
ISBN | 9783111253480 |
Computational methods and understanding computational models are important in modern drug discovery. The books focus on computational approaches that can improve the development of in silico methodologies. They include lead hit methods, docking algorithms, computational chiral compounds, structure-based drug design, GROMACS and NAMD, structural genomics, toxicity prediction, enzyme inhibitors and peptidomimetic therapeutics.
Computational Drug Design
Title | Computational Drug Design PDF eBook |
Author | D. C. Young |
Publisher | John Wiley & Sons |
Pages | 344 |
Release | 2009-01-28 |
Genre | Science |
ISBN | 9780470451847 |
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.
Computational Pharmaceutics
Title | Computational Pharmaceutics PDF eBook |
Author | Defang Ouyang |
Publisher | John Wiley & Sons |
Pages | 350 |
Release | 2015-07-20 |
Genre | Science |
ISBN | 1118573994 |
Molecular modeling techniques have been widely used in drug discovery fields for rational drug design and compound screening. Now these techniques are used to model or mimic the behavior of molecules, and help us study formulation at the molecular level. Computational pharmaceutics enables us to understand the mechanism of drug delivery, and to develop new drug delivery systems. The book discusses the modeling of different drug delivery systems, including cyclodextrins, solid dispersions, polymorphism prediction, dendrimer-based delivery systems, surfactant-based micelle, polymeric drug delivery systems, liposome, protein/peptide formulations, non-viral gene delivery systems, drug-protein binding, silica nanoparticles, carbon nanotube-based drug delivery systems, diamond nanoparticles and layered double hydroxides (LDHs) drug delivery systems. Although there are a number of existing books about rational drug design with molecular modeling techniques, these techniques still look mysterious and daunting for pharmaceutical scientists. This book fills the gap between pharmaceutics and molecular modeling, and presents a systematic and overall introduction to computational pharmaceutics. It covers all introductory, advanced and specialist levels. It provides a totally different perspective to pharmaceutical scientists, and will greatly facilitate the development of pharmaceutics. It also helps computational chemists to look for the important questions in the drug delivery field. This book is included in the Advances in Pharmaceutical Technology book series.
Drug Design Strategies
Title | Drug Design Strategies PDF eBook |
Author | Lee Banting |
Publisher | Royal Society of Chemistry |
Pages | 251 |
Release | 2012 |
Genre | Medical |
ISBN | 1849731675 |
This book, aimed at academics, industrialists and post-graduates, documents the latest research into computer aided drug design.
Computer-Aided Drug Design and Delivery Systems
Title | Computer-Aided Drug Design and Delivery Systems PDF eBook |
Author | Ahindra Nag |
Publisher | McGraw Hill Professional |
Pages | 240 |
Release | 2010-10-06 |
Genre | Technology & Engineering |
ISBN | 0071701257 |
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
Computational and Structural Approaches to Drug Discovery
Title | Computational and Structural Approaches to Drug Discovery PDF eBook |
Author | Robert M. Stroud |
Publisher | Royal Society of Chemistry |
Pages | 171 |
Release | 2008 |
Genre | Medical |
ISBN | 0854043659 |
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.
Artificial Intelligence in Drug Discovery
Title | Artificial Intelligence in Drug Discovery PDF eBook |
Author | Nathan Brown |
Publisher | Royal Society of Chemistry |
Pages | 425 |
Release | 2020-11-04 |
Genre | Computers |
ISBN | 1839160543 |
Following significant advances in deep learning and related areas interest in artificial intelligence (AI) has rapidly grown. In particular, the application of AI in drug discovery provides an opportunity to tackle challenges that previously have been difficult to solve, such as predicting properties, designing molecules and optimising synthetic routes. Artificial Intelligence in Drug Discovery aims to introduce the reader to AI and machine learning tools and techniques, and to outline specific challenges including designing new molecular structures, synthesis planning and simulation. Providing a wealth of information from leading experts in the field this book is ideal for students, postgraduates and established researchers in both industry and academia.