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Open Access Databases And Datasets For Drug Discovery

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Open Access Databases And Datasets For Drug Discovery

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Author : Antoine Daina
language : en
Publisher: John Wiley & Sons
Release Date : 2023-10-02

Open Access Databases And Datasets For Drug Discovery written by Antoine Daina 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 2023-10-02 with Medical categories.

Open Access Databases and Datasets for Drug Discovery Timely resource discussing the future of data-driven drug discovery and the growing number of open-source databases With an overview of 90 freely accessible databases and datasets on all aspects of drug design, development, and discovery, Open Access Databases and Datasets for Drug Discovery is a comprehensive guide to the vast amount of “free data” available to today’s pharmaceutical researchers. The applicability of open-source data for drug discovery and development is analyzed, and their usefulness in comparison with commercially available tools is evaluated. The most relevant databases for small molecules, drugs and druglike substances, ligand design, protein 3D structures (both experimental and calculated), and human drug targets are described in depth, including practical examples of how to access and work with the data. The first part is focused on databases for small molecules, followed by databases for macromolecular targets and diseases. The final part shows how to integrate various open-source tools into the academic and industrial drug discovery and development process. Contributed to and edited by experts with long-time experience in the field, Open Access Databases and Datasets for Drug Discovery includes information on: An extensive listing of open access databases and datasets for computer-aided drug design PubChem as a chemical database for drug discovery, DrugBank Online, and bioisosteric replacement for drug discovery supported by the SwissBioisostere database The Protein Data Bank (PDB) and macromolecular structure data supporting computer-aided drug design, and the SWISS-MODEL repository of 3D protein structures and models PDB-REDO in computational aided drug design (CADD), and using Pharos/TCRD for discovering druggable targets Unmatched in scope and thoroughly reviewing small and large open data sources relevant for rational drug design, Open Access Databases and Datasets for Drug Discovery is an essential reference for medicinal and pharmaceutical chemists, and any scientists involved in the drug discovery and drug development.

Open Access Databases And Datasets For Drug Discovery

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Author : Antoine Daina
language : en
Publisher: John Wiley & Sons
Release Date : 2023-09-27

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Author :
language : en
Publisher: John Wiley & Sons
Release Date :

written by 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 with categories.

Computational Genomics And Structural Bioinformatics In Microbial Science

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Author : Javid Ahmad Parray
language : en
Publisher: Academic Press
Release Date : 2025-02-24

Computational Genomics And Structural Bioinformatics In Microbial Science written by Javid Ahmad Parray and has been published by Academic Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2025-02-24 with Science categories.

Computational Genomics and Structural Bioinformatics in Microbial Science: Microbial Genomics (Volume 2) covers different aspects of microbial genomics, metagenomics, and functional studies of microbes through informative illustrations of current trends in computational tools and bioinformatics approach in environmental microbiology and clinical diagnosis. This book aims to provide readers with an overview of the microbial genome, computational genomics, and structural bioinformatics in microbial science, as well as the most recent developments in these fields. This book covers a range of topics, including the challenges and opportunities of computational epigenomics, bioinformatics tools for assessing metagenomic data, as well as computed comparative genomics and computational phenotyping of microorganisms relevant to agriculture. Microbial Genomics: Host Adaptation, virulence, and Evolution is a valuable resource for faculty members, researchers, and undergraduate and postgraduate students at universities, medical research labs, that are interested in microbial science specifically related to the microbial genome, computing genomics, and bioinformatics. - Provides informative illustrations of current trends in computational tools and bioinformatics approach - Presents bioinformatics of next generation sequencing in clinical microbiology diagnosis - Discusses structural bioinformatics and its applications

Drug Discovery Stories

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Author : Bin Yu
language : en
Publisher: Elsevier
Release Date : 2024-10-25

Drug Discovery Stories written by Bin Yu and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2024-10-25 with Business & Economics categories.

Drug Discovery Stories: From Bench to Bedside presents a collection of cases on the development of highly successful pharmaceuticals. It delves into the realm of drug discovery, exploring the structural biology and biological functions of the sought-after targets. The book covers the identification of promising compounds, their transformation from hits to leads through meticulous optimization, and the elucidation of how key compounds interact with the target (in essence, providing invaluable insights for drug design). Additionally, it covers essential information such as the pivotal biological and PK data of lead compounds, any noteworthy clinical results, and a comprehensive overview of other candidate compounds.The field of drug discovery and development has experienced rapid evolution, with numerous new drugs receiving approval each year. While several books have been published on this subject, there is a pressing need for a new book series that accurately reflects the current advancements in drug discovery. This book aims to not only cater to the drug discovery community but also engage other communities involved in chemical biology, synthetic chemistry, and pharmacology. - Analyzes the drug discovery stories of different blockbuster drugs - Includes the newly approved drugs - Covers key aspects related to the drug development of the drugs

The Future Of Pharmaceuticals

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Author : Sarfaraz K. Niazi
language : en
Publisher: CRC Press
Release Date : 2022-02-28

The Future Of Pharmaceuticals written by Sarfaraz K. Niazi and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2022-02-28 with Medical categories.

Before now, biological systems could only be expressed in terms of linear relationships, however, as knowledge grows and new techniques of analysis on biological systems is made available, we are realizing the non-linearity of these systems. The concepts and techniques of nonlinear analysis allow for more realistic and accurate models in science. The Future of Pharmaceuticals: A Nonlinear Analysis provides an opportunity to understand the non-linearity of biological systems and its application in various areas of science, primarily pharmaceutical sciences. This book will benefit professionals in pharmaceutical industries, academia, and policy who are interested in an entirely new approach to how we will treat disease in the future. Key Features: Addresses a new approach of nonlinear analysis. Applies a theory of projection to chalk out the future, instead of basing on linear evolution. Provides an opportunity to better understand the non-linearity in biological systems and its applications in various areas of science, primarily pharmaceutical sciences. Helps change the thought process for those looking for answers to their questions which they do not find in the linear relationship approach. Encourages a broader perspective for the creative process of drug development.

Converging Pharmacy Science And Engineering In Computational Drug Discovery

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Author : Tripathi, Rati Kailash Prasad
language : en
Publisher: IGI Global
Release Date : 2024-04-22

Converging Pharmacy Science And Engineering In Computational Drug Discovery written by Tripathi, Rati Kailash Prasad and has been published by IGI Global this book supported file pdf, txt, epub, kindle and other format this book has been release on 2024-04-22 with Medical categories.

The world of pharmaceutical research is moving at lightning speed, and the age-old approach to drug discovery faces many challenges. It's a fascinating time to be on the cutting edge of medical innovation, but it's certainly not without its obstacles. The process of developing new drugs is often time-consuming, expensive, and fraught with uncertainty. Researchers are constantly seeking ways to streamline this process, reduce costs, and increase the success rate of bringing new drugs to market. One promising solution lies in the convergence of pharmacy science and engineering, particularly in computational drug discovery. Converging Pharmacy Science and Engineering in Computational Drug Discovery presents a comprehensive solution to these challenges by exploring the transformative synergy between pharmacy science and engineering. This book demonstrates how researchers can expedite the identification and development of novel therapeutic compounds by harnessing the power of computational approaches, such as sophisticated algorithms and modeling techniques. Through interdisciplinary collaboration, pharmacy scientists and engineers can revolutionize drug discovery, paving the way for more efficient and effective treatments. This book is an invaluable resource for pharmaceutical scientists, researchers, and engineers seeking to enhance their understanding of computational drug discovery. This book inspires future innovations by showcasing cutting-edge methodologies and innovative research at the intersection of pharmacy science and engineering. It contributes to the ongoing evolution of pharmaceutical research. It offers practical insights and solutions that will shape the future of drug discovery, making it essential reading for anyone involved in the pharmaceutical industry.

Advanced Intelligent Computing Technology And Applications

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Author : De-Shuang Huang
language : en
Publisher: Springer Nature
Release Date : 2023-07-29

Advanced Intelligent Computing Technology And Applications written by De-Shuang Huang and has been published by Springer Nature this book supported file pdf, txt, epub, kindle and other format this book has been release on 2023-07-29 with Technology & Engineering categories.

This three-volume set of LNCS 14086, LNCS 14087 and LNCS 14088 constitutes - in conjunction with the double-volume set LNAI 14089-14090- the refereed proceedings of the 19th International Conference on Intelligent Computing, ICIC 2023, held in Zhengzhou, China, in August 2023. The 337 full papers of the three proceedings volumes were carefully reviewed and selected from 828 submissions. This year, the conference concentrated mainly on the theories and methodologies as well as the emerging applications of intelligent computing. Its aim was to unify the picture of contemporary intelligent computing techniques as an integral concept that highlights the trends in advanced computational intelligence and bridges theoretical research with applications. Therefore, the theme for this conference was "Advanced Intelligent Computing Technology and Applications". Papers that focused on this theme were solicited, addressing theories, methodologies, and applications in science and technology.

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

Digital Blockchain

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Author : Rishabha Malviya
language : en
Publisher: Walter de Gruyter GmbH & Co KG
Release Date : 2025-04-21

Digital Blockchain written by Rishabha Malviya 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 2025-04-21 with Computers categories.

"Digital Blockchain- Big Data, Artificial Intelligence and Virtual Reality in Healthcare Ecosystem" is a book that explores the revolutionary impact of blockchain, big data, and artificial intelligence (AI) on the pharmaceutical and healthcare sectors. The book discusses AI, big data, and their applications in drug research, clinical trials, regulatory compliance, and post-marketing surveillance. The book also discusses education and training in smart pharma, demonstrating the potential of AI, big data, and machine learning to improve workforce capacities. The book discusses intellectual property and data privacy issues, the legislative framework for AI adoption, ethical considerations, and future trends in AI-enabled drug research, manufacturing, and healthcare innovation. It is a valuable resource for healthcare professionals, industrial experts, and academicians, offering theoretical and practical insights.

Open Access Databases And Datasets For Drug Discovery

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