Computer-Aided Drug Design (Paperback, 1st ed. 2020)

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.

General

Imprint:	Springer Verlag, Singapore
Country of origin:	Singapore
Release date:	October 2021
First published:	2020
Editors:	Dev Bukhsh Singh
Dimensions:	235 x 155mm (L x W)
Format:	Paperback
Pages:	306
Edition:	1st ed. 2020
ISBN-13:	978-981-15-6817-6
Categories:	Books > Science & Mathematics > Chemistry > General Books > Science & Mathematics > Biology, life sciences > Molecular biology Books > Medicine > Other branches of medicine > Pharmacology > General
LSN:	981-15-6817-0
Barcode:	9789811568176

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