Molecular Docking for Computer-Aided Drug Design: Fundamentals, Techniques, Resources and Applications 1st Edition by S. Mohane Coumar (Editor) 012822312X 9780128223123

Molecular Docking for Computer-Aided Drug Design: Fundamentals, Techniques, Resources and Applications 1st Edition S. Mohane Coumar (Editor) – Ebook Instant Download/Delivery ISBN(s): 9780128223123,012822312X

Product details:

• ISBN 10: 012822312X
• ISBN 13: 9780128223123
• Author:S. Mohane Coumar

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 in drug design and discovery.

Table contents:

Chapter 1. Modern Tools and Techniques in Computer-Aided Drug Design
Chapter 2. Biomolecular Talks—Part 1: A Theoretical Revisit on Molecular Modeling and Docking Approaches
Chapter 3. Post-processing of Docking Results: Tools and Strategies
Chapter 4. Best Practices for Docking-Based Virtual Screening
Chapter 5. Virtual Libraries for Docking Methods: Guidelines for the Selection and the Preparation
Chapter 6. 3D Structural Determination of Macromolecules Using X-ray Crystallography Methods
Chapter 7. Electron Microscopy and Single Particle Analysis for Solving Three-Dimensional Structures of Macromolecules
Chapter 8. Computational Modeling of Protein Three-Dimensional Structure: Methods and Resources
Chapter 9. Resources for Docking-Based Virtual Screening
Chapter 10. Do It Yourself—Dock It Yourself: General Concepts and Practical Considerations for Beginners to Start Molecular Ligand–Target Docking Simulations
Chapter 11. Use of Molecular Docking as a Decision-Making Tool in Drug Discovery
Chapter 12. Biomolecular Talks—Part 2: Applications and Challenges of Molecular Docking Approaches
Chapter 13. Application of Docking for Lead Optimization
Chapter 14. Multi-Target Drugs as Master Keys to Complex Diseases: Inverse Docking Strategies and Opportunities
Chapter 15. Drug Repositioning: Principles, Resources, and Application of Structure-Based Virtual Screening for the Identification of Anticancer Agents
Chapter 16. Design and Discovery of Kinase Inhibitors Using Docking Studies
Chapter 17. Docking Approaches Used in Epigenetic Drug Investigations
Chapter 18. Molecular Docking for Natural Product Investigations: Pitfalls and Ways to Overcome Them
Chapter 19. Advances in Docking-Based Drug Design for Microbial and Cancer Drug Targets
Chapter 20. Role of Bioinformatics in Subunit Vaccine Design
Chapter 21. Computational Approaches Toward Development of Topoisomerase I Inhibitor: A Clinically Validated Target
Chapter 22. Docking-Based Virtual Screening Using PyRx Tool: Autophagy Target Vps34 as a Case Study
Chapter 23. Molecular Docking: A Contemporary Story About Food Saf

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