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Molecular Docking for Computer-Aided Drug Design: Fundamentals, Techniques, Resources and Applications

Molecular Docking for Computer-Aided Drug Design: Fundamentals, Techniques, Resources and Applications

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  • More about Molecular Docking for Computer-Aided Drug Design: Fundamentals, Techniques, Resources and Applications

Molecular Docking for Computer-Aided Drug Design is a comprehensive guide that covers basic techniques, tools, web servers, and applications in drug design. It is a valuable resource for students and researchers.

\n Format: Paperback / softback
\n Length: 520 pages
\n Publication date: 18 February 2021
\n Publisher: Elsevier Science Publishing Co Inc
\n


Molecular docking is a powerful tool in computer-aided drug design (CADD) that enables researchers to predict the interactions between molecules and potential drug targets. By simulating the binding of small molecules to proteins, researchers can identify potential drug candidates, optimize their structures, and assess their biological activity.

The book "Molecular Docking for Computer-Aided Drug Design: Fundamentals, Techniques, Resources, and Applications" provides comprehensive coverage of molecular docking in drug design. It is divided into three main sections:

Section 1: Basic Techniques
This section introduces the fundamental principles of molecular docking and explains how it works. It covers topics such as protein structure determination, ligand design, docking software selection, and parameterization. It also provides hands-on examples and exercises to help readers understand the practical aspects of molecular docking.

Section 2: Tools
This section discusses the various molecular docking tools available in the market. It covers popular docking software packages such as AutoDock, Glide, and MOE. It also provides information on web servers and databases that offer access to docking software and data resources.

Section 3: Web Servers and Applications
This section showcases the applications of molecular docking in drug discovery. It discusses the use of molecular docking in lead optimization, virtual screening, and drug-target interaction analysis. It also provides examples of successful applications of molecular docking in the development of new drugs.

The book is an essential reference for students and researchers involved in drug design and discovery. It provides a comprehensive understanding of molecular docking techniques, tools, and applications, enabling them to apply this knowledge to their research projects.

In conclusion, molecular docking is a crucial tool in CADD that plays a vital role in drug discovery. The book "Molecular Docking for Computer-Aided Drug Design: Fundamentals, Techniques, Resources, and Applications" provides a comprehensive and up-to-date coverage of molecular docking, making it an invaluable resource for students and researchers in this field.

\n Weight: 1066g\n
Dimension: 192 x 235 x 28 (mm)\n
ISBN-13: 9780128223123\n \n

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