In Silico Drug Design
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In Silico Drug Design
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Author : Kunal Roy
language : en
Publisher: Academic Press
Release Date : 2019-02-12
In Silico Drug Design written by Kunal Roy and has been published by Academic Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2019-02-12 with Business & Economics categories.
In Silico Drug Design: Repurposing Techniques and Methodologies explores the application of computational tools that can be utilized for this approach. The book covers theoretical background and methodologies of chem-bioinformatic techniques and network modeling and discusses the various applied strategies to systematically retrieve, integrate and analyze datasets from diverse sources. Other topics include in silico drug design methods, computational workflows for drug repurposing, and network-based in silico screening for drug efficacy. With contributions from experts in the field and the inclusion of practical case studies, this book gives scientists, researchers and R&D professionals in the pharmaceutical industry valuable insights into drug design. Discusses the theoretical background and methodologies of useful techniques of cheminformatics and bioinformatics that can be applied for drug repurposing Offers case studies relating to the in silico modeling of FDA-approved drugs for the discovery of antifungal, anticancer, antiplatelet agents, and for drug therapies against diseases Covers tools and databases that can be utilized to facilitate in silico methods for drug repurposing
In Silico Methods For Drug Design And Discovery
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Author : Simone Brogi
language : en
Publisher: Frontiers Media SA
Release Date : 2020-10-09
In Silico Methods For Drug Design And Discovery written by Simone Brogi 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 2020-10-09 with Science categories.
This eBook is a collection of articles from a Frontiers Research Topic. Frontiers Research Topics are very popular trademarks of the Frontiers Journals Series: they are collections of at least ten articles, all centered on a particular subject. With their unique mix of varied contributions from Original Research to Review Articles, Frontiers Research Topics unify the most influential researchers, the latest key findings and historical advances in a hot research area! Find out more on how to host your own Frontiers Research Topic or contribute to one as an author by contacting the Frontiers Editorial Office: frontiersin.org/about/contact.
In Silico Drug Discovery And Design
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Author : Claudio N. Cavasotto
language : en
Publisher: CRC Press
Release Date : 2015-08-06
In Silico Drug Discovery And Design written by Claudio N. Cavasotto and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2015-08-06 with Medical categories.
In Silico Drug Discovery and Design: Theory, Methods, Challenges, and Applications provides a comprehensive, unified, and in-depth overview of the current methodological strategies in computer-aided drug discovery and design. Its main aims are to introduce the theoretical framework and algorithms, discuss the range of validity, strengths and limita
In Silico Drug Discovery And Design
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Author : Markus A. Lill
language : en
Publisher:
Release Date : 2013
In Silico Drug Discovery And Design written by Markus A. Lill and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2013 with categories.
The sixteen chapters of this book summarize the current status and recent developments in computer-aided drug-design methodology. The book is organized into four sections, with the first dedicated to current methods for identifying potential hits for target proteins and predicting the binding affinity between protein and ligands
In Silico Medicinal Chemistry
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Author : Nathan Brown
language : en
Publisher: Royal Society of Chemistry
Release Date : 2015-11-02
In Silico Medicinal Chemistry written by Nathan Brown and has been published by Royal Society of Chemistry this book supported file pdf, txt, epub, kindle and other format this book has been release on 2015-11-02 with Science categories.
Exploring the methodologies and applications ofcomputational tools in drug design, this book is a practical introduction to chemoinformatics, molecular modelling and computational chemistry for researchers.
In Silico Lead Discovery
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Author : Maria A. Miteva
language : en
Publisher: Bentham Science Publishers
Release Date : 2011
In Silico Lead Discovery written by Maria A. Miteva 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 2011 with Science categories.
Computer-aided drug design and in silico screening have contributed to the discovery of several compounds that have either reached the market or entered clinical trials. In silico Lead Discovery is a compilation of the efforts of several experts on bioinf
In Silico Models For Drug Discovery
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Author : Sandhya Kortagere
language : en
Publisher: Humana Press
Release Date : 2013-04-09
In Silico Models For Drug Discovery written by Sandhya Kortagere and has been published by Humana Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2013-04-09 with Medical categories.
Infectious diseases caused by viruses, parasites, bacteria, and fungi are the number one cause of death worldwide. Although new technologies have improved diagnosis of infectious diseases, the efficacy of all known current anti-infective agents is threatened by the spread of drug-resistant forms of the pathogens. Hence, there remains an urgent need to develop anti-infective agents that target drug-resistant pathogens. In Silico Models for Drug Discovery presents a comprehensive look at the role in silico models play in understanding infectious diseases and in developing novel therapeutics to treat them. Written by leading experts in the field, chapters cover topics such as techniques to derive novel antimicrobial targets, methods of interpreting polypharmacology-based drug target networks, and molecular dynamics techniques used to compute binding energies of drugs to their target proteins, to name a few. Written in the successful Methods in Molecular BiologyTM series or in review article format, chapters include introductions to their respective topics, lists of the necessary materials and reagents, step-by-step, readily reproducible protocols, and notes on troubleshooting and avoiding known pitfalls. Authoritative and easily accessible, In Silico Models for Drug Discovery seeks to serve both professionals and novices involved in the study and treatment of infectious diseases.
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.
In Silico Technologies In Drug Target Identification And Validation
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Author : Darryl Leon
language : en
Publisher: CRC Press
Release Date : 2006-06-13
In Silico Technologies In Drug Target Identification And Validation written by Darryl Leon and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2006-06-13 with Medical categories.
The pharmaceutical industry relies on numerous well-designed experiments involving high-throughput techniques and in silico approaches to analyze potential drug targets. These in silico methods are often predictive, yielding faster and less expensive analyses than traditional in vivo or in vitro procedures. In Silico Technologies in Drug Target Identification and Validation addresses the challenge of testing a growing number of new potential targets and reviews currently available in silico approaches for identifying and validating these targets. The book emphasizes computational tools, public and commercial databases, mathematical methods, and software for interpreting complex experimental data. The book describes how these tools are used to visualize a target structure, identify binding sites, and predict behavior. World-renowned researchers cover many topics not typically found in most informatics books, including functional annotation, siRNA design, pathways, text mining, ontologies, systems biology, database management, data pipelining, and pharmacogenomics. Covering issues that range from prescreening target selection to genetic modeling and valuable data integration, In Silico Technologies in Drug Target Identification and Validation is a self-contained and practical guide to the various computational tools that can accelerate the identification and validation stages of drug target discovery and determine the biological functionality of potential targets more effectively. Daniel E. Levy, editor of the Drug Discovery Series, is the founder of DEL BioPharma, a consulting service for drug discovery programs. He also maintains a blog that explores organic chemistry.
Chemical Drug Design
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Author : Girish Kumar Gupta
language : en
Publisher: Walter de Gruyter GmbH & Co KG
Release Date : 2016-10-10
Chemical Drug Design written by Girish Kumar Gupta 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 2016-10-10 with Science categories.
Chemical Drug Design provides a compact overview on recent advances in this rapidly developing field. With contributions on in silico drug design, natural product based compounds, as well as on ligand- and structure-based approaches, the authors present innovative methods and techniques for identifying and synthetically designing novel drugs.