Can I read Molecular Dynamics Simulation of Protein and Protein–Ligand Complexes on EtoBox?

Molecular Dynamics Simulation of Protein and Protein–Ligand Complexes by Rohit Shukla; Timir Tripathi is a book available to read on EtoBox.

What is Molecular Dynamics Simulation of Protein and Protein–Ligand Complexes about?

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.

Author

Rohit Shukla; Timir Tripathi

Publisher

Springer Singapore : Imprint: Springer

Published

2020

Language

EN

ISBN

9789811568152

Subjects

Medical, Science, Chemistry