Computer-Aided Drug Design

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  • Computer-Aided Drug Design Book Detail

  • Author : Dev Bukhsh Singh
  • Release Date : 2020-10-09
  • Publisher : Springer Nature
  • Genre : Medical
  • Pages : 308
  • ISBN 13 : 9811568154
  • File Size : 51,51 MB

Computer-Aided Drug Design by Dev Bukhsh Singh PDF Summary

Book Description: 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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Computer-Aided Drug Design

Computer-Aided Drug Design

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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

Computer-Aided Drug Discovery

Computer-Aided Drug Discovery

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This detailed volume examines computer-aided drug discovery (CADD), a crucial component of modern drug discovery programs that is widely utilized to identity an