Molecular Docking for Computer-Aided Drug Design
eBook - ePub

Molecular Docking for Computer-Aided Drug Design

Fundamentals, Techniques, Resources and Applications

  1. 520 pages
  2. English
  3. ePUB (mobile friendly)
  4. Available on iOS & Android
eBook - ePub

Molecular Docking for Computer-Aided Drug Design

Fundamentals, Techniques, Resources and Applications

About this book

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. - Covers the latest information and state-of-the-art trends in structure-based drug design methodologies - Includes case studies that complement learning - Consolidates fundamental concepts and current practice of molecular docking into one convenient resource

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Yes, you can access Molecular Docking for Computer-Aided Drug Design by Mohane S. Coumar in PDF and/or ePUB format, as well as other popular books in Biological Sciences & Pharmacology. We have over one million books available in our catalogue for you to explore.

Table of contents

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