Anglický jazyk

Computer-Aided Drug Design

Vydavateľstvo: Springer
Rok vydania: 2020
Formát: Hardback
Rozmer: 241 x 160 mm
Jazyk: Anglický jazyk
ISBN: 9789811568145

Na objednávku, dodanie 2-4 týždne

138.59 €

bežná cena: 153.99 €

O knihe

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.