Virtual Screening in Drug Discovery
eBook - PDF

Virtual Screening in Drug Discovery

  1. 498 pages
  2. English
  3. PDF
  4. Available on iOS & Android
eBook - PDF

Virtual Screening in Drug Discovery

About this book

Virtual screening can reduce costs and increase hit rates for lead discovery by eliminating the need for robotics, reagent acquisition or production, and compound storage facilities. The increased robustness of computational algorithms and scoring functions, the availability of affordable computational power, and the potential for timely structural

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Information

Publisher
CRC Press
Year
2005
Print ISBN
9780824754792
eBook ISBN
9781420028775
Edition
1
Topic
Medicine
Subtopic
Pharmacology

Table of contents

  1. Front Cover
  2. Preface
  3. The Editors
  4. List of Contributors
  5. Contents
  6. Chapter 1: Virtual Screening: Scope and Limitations
  7. Chapter 2: Addressing the Virtual Screening Challenge: The Flex* Approach
  8. Chapter 3: An Analysis of Critical Factors Affecting Docking and Scoring
  9. Chapter 4: Compound Selection for Virtual Screening
  10. Chapter 5: Experimental Identification of Promiscuous, Aggregate-Forming Screening Hits
  11. Chapter 6: Data Mining Approaches for Enhancement of Knowledge-Based Content of De Novo Chemical Libraries
  12. Chapter 7: Pharmacophore-Based Virtual Screening: A Practical Perspective
  13. Chapter 8: Using Pharmacophore Multiplet Fingerprints for Virtual High Throughput Screening
  14. Chapter 9: Potential Functions for Virtual Screening and Ligand Binding Calculations: Some Theoretical Considerations
  15. Chapter 10: Solvation-Based Scoring for High Throughput Docking
  16. Chapter 11: Classification of Ligand–Receptor Complexes Based on Receptor Binding Site Characteristics
  17. Chapter 12: A Practical Guide to DOCK 5
  18. Chapter 13: Pharmacophore-Based Molecular Docking: A Practical Guide
  19. Chapter 14: Fragment-Based High Throughput Docking
  20. Chapter 15: Protein–Ligand Docking and Virtual Screening with GOLD
  21. Chapter 16: A Brief History of Glide: A New Paradigm for Docking and Scoring in Virtual Screening
  22. Index

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Yes, you can access Virtual Screening in Drug Discovery by Juan Alvarez,Brian Shoichet in PDF and/or ePUB format, as well as other popular books in Medicine & Pharmacology. We have over 1.5 million books available in our catalogue for you to explore.