Computer-Aided Drug Design

Computer-Aided Drug Design

Author: Dev Bukhsh Singh

Publisher: Springer Nature

ISBN: 9789811568152

Category: Medical

Page: 306

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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 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.
Computer-Aided Drug Design
Language: en
Pages: 306
Authors: Dev Bukhsh Singh
Categories: Medical
Type: BOOK - Published: 2020-10-09 - Publisher: Springer Nature

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
Computer Aided Drug Design in Industrial Research
Language: en
Pages: 254
Authors: E.C. Herrmann, R. Franke
Categories: Science
Type: BOOK - Published: 2013-03-09 - Publisher: Springer Science & Business Media

The Ernst Schering Research Foundation sponsored its 15th workshop in Berlin on October 19-21, 1994. Leading scientists from Europe and North America were invited to discuss computer-aided drug design in industrial research. Computer-aided drug design is a very exciting field and an intellec tual challenge, like playing chess. But these
Molecular Docking for Computer-Aided Drug Design
Language: en
Pages: 520
Authors: S. Mohane Coumar
Categories: Medical
Type: BOOK - Published: 2021-02-17 - Publisher: Academic Press

Molecular Docking for Computer-Aided Drug Design: Fundamentals, Techniques, Resources and Applications offers in-depth coverage on the use of molecular docking for drug design. The book is divided into three main sections that cover basic techniques, tools, web servers and applications. It is an essential reference for students and researchers involved
Computer Aided Drug Design (CADD): From Ligand-Based Methods to Structure-Based Approaches
Language: en
Pages: 322
Authors: Mithun Rudrapal, Chukwuebuka Egbuna
Categories: Science
Type: BOOK - Published: 2022-06-01 - Publisher: Elsevier

Computer-Aided Drug Design (CADD): From Ligand-Based Methods to Structure-Based Approaches outlines the basic theoretical principles, methodologies and applications of different fundamental and advanced CADD approaches and techniques. Including information on current protocols as well as recent developments in the computational methods, tools and techniques used for rational drug design, the
Antiviral computer-aided drug design
Language: en
Pages:
Authors: DIMITRIOS VLACHAKIS
Categories: Science
Type: BOOK - Published: 2012 - Publisher: Lulu.com

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