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portada Computer-Aided Drug Design
Type
Physical Book
Publisher
Author
Language
English
Pages
306
Format
Hardcover
Dimensions
23.9x16.3x1.7 cm
Weight
0.59 kg.
ISBN13
9789811568145
Categories

Computer-Aided Drug Design

Singh, Dev Bukhsh (Author) · Springer · Hardcover

Computer-Aided Drug Design - Singh, Dev Bukhsh

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Synopsis "Computer-Aided Drug Design"

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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