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Computer-aided Drug Design ISBN 13 : 9789811568145

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9789811568145: Computer-aided Drug Design

Synopsis

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.


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À propos de l?auteur

Dr. Dev Bukhsh Singh is an Assistant Professor at the Department of Biotechnology, Chhatrapati Shahu Ji Maharaj University, Kanpur, India. He received his B.Sc. and M.Sc. degrees from the University of Allahabad, Prayagraj, and his M.Tech. from the Indian Institute of Information Technology, Prayagraj. Holding a Ph.D. in Biotechnology with specialization in Bioinformatics from Gautam Buddha University, he has been actively involved in teaching and research since 2009, and his focus areas include molecular modeling, chemoinformatics, inhibitor/drug design, and in silico evaluation. He has authored numerous research articles and book chapters in the fields of medicinal research, molecular modeling, drug design, and systems biology. He is a member of various national and international academic bodies, and is a reviewer for several international journals.

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9789811568176: Computer-Aided Drug Design

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ISBN 10 :  9811568170 ISBN 13 :  9789811568176
Editeur : Springer, 2021
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ISBN 10 : 9811568146 ISBN 13 : 9789811568145
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Buch. Etat : Neu. This item is printed on demand - it takes 3-4 days longer - Neuware -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. 320 pp. Englisch. N° de réf. du vendeur 9789811568145

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Singh, Dev Bukhsh
Edité par Springer Nature Singapore, 2020
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Gebunden. Etat : New. Dieser Artikel ist ein Print on Demand Artikel und wird nach Ihrer Bestellung fuer Sie gedruckt. Explores the application of computational tools in drug design, discovery, and developmentPresents method for identifying small-molecule binding pockets in proteinsReviews the impact of ADME profiling on drug discovery and development. N° de réf. du vendeur 395528905

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Buch. Etat : Neu. Neuware -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.Springer Verlag GmbH, Tiergartenstr. 17, 69121 Heidelberg 320 pp. Englisch. N° de réf. du vendeur 9789811568145

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Buch. Etat : Neu. Druck auf Anfrage Neuware - Printed after ordering - 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. N° de réf. du vendeur 9789811568145

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Edité par Springer, 2020
ISBN 10 : 9811568146 ISBN 13 : 9789811568145
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