Advanced Computer Assisted Techniques In Drug Discovery

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Advanced Computer Assisted Techniques In Drug Discovery

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Author : Han van de Waterbeemd
language : en
Publisher: John Wiley & Sons
Release Date : 2008-09-26

Advanced Computer Assisted Techniques In Drug Discovery written by Han van de Waterbeemd and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2008-09-26 with Science categories.

The use of powerful computers has revolutionized molecular design and drug discovery. Thoroughly researched and well-structured, this comprehensive handbook covers highly effective and efficient techniques in 3D-QSAR and advanced statistical analysis. The emphasis is on showing users how to apply these methods and avoid costly and time-consuming methodical errors. Topics covered include * combination of statistical methods and molecular modeling tools * rational use of databases * advanced statistical techniques * neural networks and expert systems in molecular design This book addresses the practitioner in industry and research, as well as the novice wishing to become acquainted with modern tools in medicinal chemistry.

Computer Aided Drug Design Cadd From Ligand Based Methods To Structure Based Approaches

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Author : Mithun Rudrapal
language : en
Publisher: Elsevier
Release Date : 2022-05-26

Computer Aided Drug Design Cadd From Ligand Based Methods To Structure Based Approaches written by Mithun Rudrapal and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2022-05-26 with Science categories.

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

Cadd And Informatics In Drug Discovery

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Author : Mithun Rudrapal
language : en
Publisher: Springer Nature
Release Date : 2023-05-12

Cadd And Informatics In Drug Discovery written by Mithun Rudrapal and has been published by Springer Nature this book supported file pdf, txt, epub, kindle and other format this book has been release on 2023-05-12 with Science categories.

This book updates knowledge on recent advances in computational, biophysical and bioinformatics tools/techniques and their practical applications in modern drug design and discovery paradigm. It also encompasses fundamental principles, advanced methodologies and applications of various CADD approaches including several cutting-edge areas; presenting recent developments covering ongoing trends in the field of computer-aided drug discovery. Having contributions by a global team of experts, the book is expected to be an ideal resource for drug discovery scientists, medicinal chemists, pharmacologists, toxicologists, phytochemists, biochemists, biologists, R&D personnel, researchers, students, teachers and those working in the field of drug discovery. It will fill the knowledge gaps that exist in the current CADD approaches and methodologies/ protocols being widely used in both academic and research practices. Further, a special focus on current status of various computational drug design approaches (SBDD, LBDD, de novo drug design, pharmacophore-based search), bioinformatics tools and databases, computational screening and modeling of phytochemicals/natural products, artificial intelligence and machine learning, and network pharmacology and systems biology would certainly guide researchers, students or readers to conduct their research in the emerging area(s) of interest. It is also expected to be highly beneficial to various stakeholders working in the pharmaceutical and biotechnology industries (R&D), the academic as well as research sectors.

Computer Aided Drug Design And Delivery Systems

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Author : Ahindra Nag
language : en
Publisher: McGraw Hill Professional
Release Date : 2010-10-06

Computer Aided Drug Design And Delivery Systems written by Ahindra Nag and has been published by McGraw Hill Professional this book supported file pdf, txt, epub, kindle and other format this book has been release on 2010-10-06 with Technology & Engineering categories.

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 Discovery

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Author : Wei Zhang
language : en
Publisher:
Release Date : 2016

Computer Aided Drug Discovery written by Wei Zhang and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2016 with Biomedicine categories.

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{u2019}s goals with this exciting and versatile technology.

Textbook Of Computer Aided Drug Development

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Author : Prof. (Dr.) Keerthi. G. S. Nair
language : en
Publisher: Shashwat Publication
Release Date : 2024-08-07

Textbook Of Computer Aided Drug Development written by Prof. (Dr.) Keerthi. G. S. Nair and has been published by Shashwat Publication this book supported file pdf, txt, epub, kindle and other format this book has been release on 2024-08-07 with Fiction categories.

This book delves into the utilization of computer-assisted techniques in the exploration, design, optimization, and production of novel pharmaceutical formulations and drug delivery systems, with a focus on their efficacy and safety. It covers computational methods, statistical and molecular modeling, all aimed at facilitating the development and safe administration of drugs in humans. The integration of Quality by Design (QbD), Design of Experiments (DoE), artificial intelligence, and in silico pharmacokinetic assessment/simulation is greatly facilitated by commercial software and expert systems, all of which are thoroughly examined in this title, accompanied by examples drawn from recent research. "Computer-aided Pharmaceutics and Drug Delivery" serves as a comprehensive reference for the latest scholarly updates on emerging developments in computer-assisted techniques for drug design and development. It is tailored for pharmacists, medical practitioners, students, and researchers seeking authoritative insights into this evolving field.

Current Trends In Computational Modeling For Drug Discovery

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Author : Supratik Kar
language : en
Publisher: Springer Nature
Release Date : 2023-06-30

Current Trends In Computational Modeling For Drug Discovery written by Supratik Kar and has been published by Springer Nature this book supported file pdf, txt, epub, kindle and other format this book has been release on 2023-06-30 with Science categories.

This contributed volume offers a comprehensive discussion on how to design and discover pharmaceuticals using computational modeling techniques. The different chapters deal with the classical and most advanced techniques, theories, protocols, databases, and tools employed in computer-aided drug design (CADD) covering diverse therapeutic classes. Multiple components of Structure-Based Drug Discovery (SBDD) along with its workflow and associated challenges are presented while potential leads for Alzheimer’s disease (AD), antiviral agents, anti-human immunodeficiency virus (HIV) drugs, and leads for Severe Fever with Thrombocytopenia Syndrome Virus (SFTSV) disease are discussed in detail. Computational toxicological aspects in drug design and discovery, screening adverse effects, and existing or future in silico tools are highlighted, while a novel in silico tool, RASAR, which can be a major technique for small to big datasets when not much experimental data are present, is presented. The book also introduces the reader to the major drug databases covering drug molecules, chemicals, therapeutic targets, metabolomics, and peptides, which are great resources for drug discovery employing drug repurposing, high throughput, and virtual screening. This volume is a great tool for graduates, researchers, academics, and industrial scientists working in the fields of cheminformatics, bioinformatics, computational biology, and chemistry.

Applied Computer Aided Drug Design Models And Methods

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Author : Igor José dos Santos Nascimento
language : en
Publisher: Bentham Science Publishers
Release Date : 2023-12-08

Applied Computer Aided Drug Design Models And Methods written by Igor José dos Santos Nascimento and has been published by Bentham Science Publishers this book supported file pdf, txt, epub, kindle and other format this book has been release on 2023-12-08 with Science categories.

Designing and developing new drugs is an expensive and time-consuming process, and there is a need to discover new tools or approaches that can optimize this process. Applied Computer-Aided Drug Design: Models and Methods compiles information about the main advances in computational tools for discovering new drugs in a simple and accessible language for academic students to early career researchers. The book aims to help readers understand how to discover molecules with therapeutic potential by bringing essential information about the subject into one volume. Key Features · Presents the concepts and evolution of classical techniques, up to the use of modern methods based on computational chemistry in accessible format. · Gives a primer on structure- and ligand-based drug design and their predictive capacity to discover new drugs. · Explains theoretical fundamentals and applications of computer-aided drug design. · Focuses on a range of applications of the computations tools, such as molecular docking; molecular dynamics simulations; homology modeling, pharmacophore modeling, quantitative structure-activity relationships (QSAR), density functional theory (DFT), fragment-based drug design (FBDD), and free energy perturbation (FEP). · Includes scientific reference for advanced readers Readership Students, teachers and early career researchers.

Computer Aided Drug Design English Edition

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Author : Dr. V. Ganesan
language : en
Publisher: Thakur Publication Private Limited
Release Date : 2021-03-10

Computer Aided Drug Design English Edition written by Dr. V. Ganesan and has been published by Thakur Publication Private Limited this book supported file pdf, txt, epub, kindle and other format this book has been release on 2021-03-10 with Education categories.

Buy E-Book of Computer Aided Drug Design (English Edition) Book For B.Pharm 8th Semester of U.P. State Universities

Computer Aided Drug Design In Industrial Research

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Author : E.C. Herrmann
language : en
Publisher: Springer Science & Business Media
Release Date : 2013-03-09

Computer Aided Drug Design In Industrial Research written by E.C. Herrmann and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2013-03-09 with Science categories.

The Ernst Schering Research Foundation sponsored its 15th workshop in Berlin on October 19-21, 1994. Leading scientists from Europe and North America were invited to discuss computer-aided drug design in industrial research. Computer-aided drug design is a very exciting field and an intellec tual challenge, like playing chess. But these reasons are no longer suf ficient to justify using this method in industry, if they ever were. Fig. 1. The participants of the workshop VI Preface Therefore, when we, together with Prof. Hoyer, started to think about this workshop, our intentions quickly became clear. We were not so much interested in the very latest developments of methods or in computer-aided drug design itself - enough conferences have dealt with these topics. However, we were very interested in the usefulness and limitations of computer-aided drug design in the indu strial research process. A lot has changed in the pharmaceutical industry recently. These changes are gaining momentum, so it is the right time to think about the role of computer-aided drug design in this changing environment.