Computer Aided Drug Development
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Computer Aided Drug Design
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Author : Dev Bukhsh Singh
language : en
Publisher: Springer Nature
Release Date : 2020-10-09
Computer Aided Drug Design written by Dev Bukhsh Singh and has been published by Springer Nature this book supported file pdf, txt, epub, kindle and other format this book has been release on 2020-10-09 with Medical categories.
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
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Author : Mohane S. Coumar
language : en
Publisher: Academic Press
Release Date : 2021-02-17
Molecular Docking For Computer Aided Drug Design written by Mohane S. Coumar and has been published by Academic Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2021-02-17 with Medical categories.
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
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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
Applied Case Studies And Solutions In Molecular Docking Based Drug Design
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Author : Dastmalchi, Siavoush
language : en
Publisher: IGI Global
Release Date : 2016-05-11
Applied Case Studies And Solutions In Molecular Docking Based Drug Design written by Dastmalchi, Siavoush and has been published by IGI Global this book supported file pdf, txt, epub, kindle and other format this book has been release on 2016-05-11 with Medical categories.
As the pharmaceutical industry continues to advance, new techniques in drug design are emerging. In order to deliver optimum care to patients, the development of innovative pharmacological techniques has become a widely studied topic. Applied Case Studies and Solutions in Molecular Docking-Based Drug Design is a pivotal reference source for the latest scholarly research on the progress of pharmaceutical design and computational approaches in the field of molecular docking. Highlighting innovative research perspectives and real-world applications, this book is ideally designed for professionals, researchers, practitioners, and medical chemists actively involved in computational chemistry and pharmaceutical sciences.
Computational Drug Discovery And Design
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Author :
language : en
Publisher:
Release Date : 2023
Computational Drug Discovery And Design written by and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2023 with Drugs categories.
This second edition provides new and updated methods and techniques for identification of drug target, binding sites prediction, high- throughput virtual screening, lead discovery and optimization, conformational sampling, prediction of pharmacokinetic properties using computer-based methodologies. Chapters also focus on the application of the latest artificial intelligence technologies for computer aided drug discovery. Written in the format of the highly successful Methods in Molecular Biology series, each chapter includes an introduction to the topic, lists necessary methods, includes tips on troubleshooting and known pitfalls, and step-by-step, readily reproducible protocols.
Drug Design
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Author : T. Durai Ananda Kumar
language : en
Publisher: CRC Press
Release Date : 2022-04
Drug Design written by T. Durai Ananda Kumar and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2022-04 with categories.
Informatics integrated with pharmaceutical sciences and the emerging discipline "Computer-Aided Drug Design (CADD)", which has profound application in rational drug design (RDD)is covered in this book. Note: T& F does not sell or distribute the Hardback in India, Pakistan, Nepal, Bhutan, Bangladesh and Sri Lanka.
Computer Aided Drug Development
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Author : DR. I. SOMASUNDARAM
language : en
Publisher: NEXUS KNOWLEDGE PUBLICATION
Release Date :
Computer Aided Drug Development written by DR. I. SOMASUNDARAM and has been published by NEXUS KNOWLEDGE PUBLICATION this book supported file pdf, txt, epub, kindle and other format this book has been release on with Medical categories.
The field of drug discovery and development has witnessed a transformative evolution with the advent of computational technologies. Computer Aided Drug Development emerges at the intersection of pharmaceutical sciences and computer science, offering innovative strategies that significantly reduce the time, cost, and resources traditionally associated with developing new therapeutic agents. This book is designed to provide readers—students, researchers, and professionals alike—with a comprehensive understanding of the principles, tools, and applications involved in computer-aided approaches to drug design. It explores the integration of computational techniques such as molecular modeling, virtual screening, quantitative structure-activity relationship (QSAR) modeling, molecular docking, pharmacophore modeling, and bioinformatics in the modern drug discovery pipeline. The goal of this book is to demystify the complex landscape of computational drug development and to present it in a clear, accessible, and practical manner. Each chapter is carefully structured to balance theoretical concepts with real-world applications, drawing upon current trends, validated software tools, and case studies from pharmaceutical research. The importance of computer-aided drug design (CADD) cannot be overstated in today's data-driven pharmaceutical industry. By offering insights into both ligand-based and structure-based approaches, this book serves as a vital resource for those aiming to understand and contribute to the future of drug discovery. It is my hope that Computer Aided Drug Development will inspire readers to explore new ideas, adopt innovative methodologies, and pursue impactful research in the quest for more effective and safer therapeutic solutions.
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.
Drug Design Principles And Applications
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Author : Abhinav Grover
language : en
Publisher: Springer
Release Date : 2018-12-12
Drug Design Principles And Applications written by Abhinav Grover and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 2018-12-12 with Medical categories.
This book offers an in-depth discussion of the latest strategies in the field of drug design and their applications in various disorders, in order to encourage readers to undertake their own projects.It also includes the contemporary application of drug-designing methodologies to inspire others to further expand the utility of this field in other diseases.It is intended for advanced undergraduate and graduate students, postdocs, researchers, lecturers and professors in bioinformatics, computational biology, medicine, pharmaceutics and other related fields.
Biomolecular Simulations In Structure Based Drug Discovery
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Author : Francesco L. Gervasio
language : en
Publisher: John Wiley & Sons
Release Date : 2019-04-29
Biomolecular Simulations In Structure Based Drug Discovery written by Francesco L. Gervasio 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 2019-04-29 with Medical categories.
A guide to applying the power of modern simulation tools to better drug design Biomolecular Simulations in Structure-based Drug Discovery offers an up-to-date and comprehensive review of modern simulation tools and their applications in real-life drug discovery, for better and quicker results in structure-based drug design. The authors describe common tools used in the biomolecular simulation of drugs and their targets and offer an analysis of the accuracy of the predictions. They also show how to integrate modeling with other experimental data. Filled with numerous case studies from different therapeutic fields, the book helps professionals to quickly adopt these new methods for their current projects. Experts from the pharmaceutical industry and academic institutions present real-life examples for important target classes such as GPCRs, ion channels and amyloids as well as for common challenges in structure-based drug discovery. Biomolecular Simulations in Structure-based Drug Discovery is an important resource that: -Contains a review of the current generation of biomolecular simulation tools that have the robustness and speed that allows them to be used as routine tools by non-specialists -Includes information on the novel methods and strategies for the modeling of drug-target interactions within the framework of real-life drug discovery and development -Offers numerous illustrative case studies from a wide-range of therapeutic fields -Presents an application-oriented reference that is ideal for those working in the various fields Written for medicinal chemists, professionals in the pharmaceutical industry, and pharmaceutical chemists, Biomolecular Simulations in Structure-based Drug Discovery is a comprehensive resource to modern simulation tools that complement and have the potential to complement or replace laboratory assays for better results in drug design.