Chemoinformatics Approaches To Structure And Ligand Based Drug Design Volume Ii
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Chemoinformatics Approaches To Structure And Ligand Based Drug Design Volume Ii
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Author : Adriano D. Andricopulo
language : en
Publisher: Frontiers Media SA
Release Date : 2022-07-27
Chemoinformatics Approaches To Structure And Ligand Based Drug Design Volume Ii written by Adriano D. Andricopulo and has been published by Frontiers Media SA this book supported file pdf, txt, epub, kindle and other format this book has been release on 2022-07-27 with Science categories.
Chemoinformatics Approaches To Structure And Ligand Based Drug Design
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Author : Adriano D. Andricopulo
language : en
Publisher: Frontiers Media SA
Release Date : 2019-02-05
Chemoinformatics Approaches To Structure And Ligand Based Drug Design written by Adriano D. Andricopulo and has been published by Frontiers Media SA this book supported file pdf, txt, epub, kindle and other format this book has been release on 2019-02-05 with categories.
Chemoinformatics is paramount to current drug discovery. Structure- and ligand-based drug design strategies have been used to uncover hidden patterns in large amounts of data, and to disclose the molecular aspects underlying ligand-receptor interactions. This Research Topic aims to share with a broad audience the most recent trends in the use of chemoinformatics in drug design. To that end, experts in all areas of drug discovery have made their knowledge available through a series of articles that report state-of-the-art approaches. Readers are provided with outstanding contributions focusing on a wide variety of topics which will be of great value to those interested in the many different and exciting facets of drug design.
Chemoinformatics And Bioinformatics In The Pharmaceutical Sciences
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Author : Navneet Sharma
language : en
Publisher: Elsevier
Release Date : 2021-05-21
Chemoinformatics And Bioinformatics In The Pharmaceutical Sciences written by Navneet Sharma and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2021-05-21 with Business & Economics categories.
Chemoinformatics and Bioinformatics in the Pharmaceutical Sciences brings together two very important fields in pharmaceutical sciences that have been mostly seen as diverging from each other: chemoinformatics and bioinformatics. As developing drugs is an expensive and lengthy process, technology can improve the cost, efficiency and speed at which new drugs can be discovered and tested. This book presents some of the growing advancements of technology in the field of drug development and how the computational approaches explained here can reduce the financial and experimental burden of the drug discovery process. This book will be useful to pharmaceutical science researchers and students who need basic knowledge of computational techniques relevant to their projects. Bioscientists, bioinformaticians, computational scientists, and other stakeholders from industry and academia will also find this book helpful. Provides practical information on how to choose and use appropriate computational tools Presents the wide, intersecting fields of chemo-bio-informatics in an easily-accessible format Explores the fundamentals of the emerging field of chemoinformatics and bioinformatics
Frontiers In Computational Chemistry Volume 6
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Author : Zaheer Ul-Haq
language : en
Publisher: Bentham Science Publishers
Release Date : 2022-09-08
Frontiers In Computational Chemistry Volume 6 written by Zaheer Ul-Haq 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 2022-09-08 with Science categories.
Frontiers in Computational Chemistry presents contemporary research on molecular modeling techniques used in drug discovery and the drug development process: computer aided molecular design, drug discovery and development, lead generation, lead optimization, database management, computer and molecular graphics, and the development of new computational methods or efficient algorithms for the simulation of chemical phenomena including analyses of biological activity. The sixth volume of this series features these six different perspectives on the application of computational chemistry in rational drug design: 1. Computer-aided molecular design in computational chemistry 2. The role of ensemble conformational sampling using molecular docking & dynamics in drug discovery 3. Molecular dynamics applied to discover antiviral agents 4. Pharmacophore modeling approach in drug discovery against the tropical infectious disease malaria 5. Advances in computational network pharmacology for Traditional Chinese Medicine (TCM) research 6. Progress in electronic-structure based computational methods: from small molecules to large molecular systems of biological significance
Computational Drug Discovery
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Author : Pooja A. Chawla
language : en
Publisher: Walter de Gruyter GmbH & Co KG
Release Date : 2024-10-07
Computational Drug Discovery written by Pooja A. Chawla and has been published by Walter de Gruyter GmbH & Co KG this book supported file pdf, txt, epub, kindle and other format this book has been release on 2024-10-07 with Science categories.
Computational methods and understanding computational models are important in modern drug discovery. The book focuses on computational approaches that can improve the development of in silico methodologies. It includes 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 Approaches In Drug Discovery Development And Systems Pharmacology
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Author : Rupesh Kumar Gautam
language : en
Publisher: Elsevier
Release Date : 2023-02-15
Computational Approaches In Drug Discovery Development And Systems Pharmacology written by Rupesh Kumar Gautam and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2023-02-15 with Medical categories.
Computational Approaches in Drug Discovery, Development and Systems Pharmacology provides detailed information on the use of computers in advancing pharmacology. Drug discovery and development is an expensive and time-consuming practice, and computer-assisted drug design (CADD) approaches are increasing in popularity in the pharmaceutical industry to accelerate the process. With the help of CADD, scientists can focus on the most capable compounds so that they can minimize the synthetic and biological testing pains. This book examines success stories of CADD in drug discovery, drug development and role of CADD in system pharmacology, additionally including a focus on the role of artificial intelligence (AI) and deep machine learning in pharmacology. Computational Approaches in Drug Discovery, Development and Systems Pharmacology will be useful to researchers and academics working in the area of CADD, pharmacology and Bioinformatics. - Explains computer use in pharmacology using real-life case studies - Provides information about biological activities using computer technology, thus allowing for the possible reduction of the number of animals used for research - Describes the role of AI in pharmacology and applications of CADD in various diseases
Application Of Plant Secondary Metabolites To Pain Neuromodulation
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Author : Adriana Gibara Guimarães
language : en
Publisher: Frontiers Media SA
Release Date : 2021-02-11
Application Of Plant Secondary Metabolites To Pain Neuromodulation written by Adriana Gibara Guimarães and has been published by Frontiers Media SA this book supported file pdf, txt, epub, kindle and other format this book has been release on 2021-02-11 with Science categories.
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.
Artificial Intelligence In Bioinformatics And Chemoinformatics
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Author : Yashwant Pathak
language : en
Publisher: CRC Press
Release Date : 2023-10-11
Artificial Intelligence In Bioinformatics And Chemoinformatics written by Yashwant Pathak and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2023-10-11 with Medical categories.
The authors aim to shed light on the practicality of using machine learning in finding complex chemoinformatics and bioinformatics applications as well as identifiying AI in biological and chemical data points. The chapters are designed in such a way that they highlight the important role of AI in chemistry and bioinformatics particularly for the classification of diseases, selection of features and compounds, dimensionality reduction and more. In addition, they assist in the organization and optimal use of data points generated from experiments performed using AI techniques. This volume discusses the development of automated tools and techniques to aid in research plans. Features Covers AI applications in bioinformatics and chemoinformatics Demystifies the involvement of AI in generating biological and chemical data Provides an Introduction to basic and advanced chemoinformatics computational tools Presents a chemical biology based toolset for artificial intelligence usage in drug design Discusses computational methods in cancer, genome mapping, and stem cell research
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