Computer-Aided Drug Design
eBook - ePub

Computer-Aided Drug Design

QSAR, Molecular Docking, Virtual Screening, Homology and Pharmacophore Modeling

  1. 351 pages
  2. English
  3. ePUB (mobile friendly)
  4. Available on iOS & Android
eBook - ePub

Computer-Aided Drug Design

QSAR, Molecular Docking, Virtual Screening, Homology and Pharmacophore Modeling

About this book

Computer-Aided Drug Design (CADD) is a comprehensive guide designed for both beginners and experienced users in CADD. This book covers the fundamental principles and gradually delves into more advanced concepts and techniques, making it an invaluable resource to anyone interested in CADD. It begins by establishing a solid foundation, explaining the core concepts of CADD, the user interface and essential tools. It covers QSAR, molecular docking, homology modeling, virtual screening, pharmacophore modeling, ensuring that the reader can quickly become proficient in CADD. The book provides in-depth insights into 3D modeling, rendering, and parametric design. The style of the book is simple, every topic begins from the very basics and explores advanced levels with clarity. Practical examples, step-by-step tutorials and hands-on exercises, are included for better understanding.

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Yes, you can access Computer-Aided Drug Design by Aman Thakur,Vineet Mehta,Priyanka Nagu,Kiran Goutam in PDF and/or ePUB format, as well as other popular books in Physical Sciences & Chemistry. We have over one million books available in our catalogue for you to explore.

Information

Publisher
De Gruyter
Year
2024
Print ISBN
9783111434742
eBook ISBN
9783111434872
Edition
1
Subtopic
Chemistry

Table of contents

  1. Title Page
  2. Copyright
  3. Contents
  4. Chapter 1 Introduction to computer-aided drug design (CADD)
  5. Chapter 2 Quantitative structure–activity relationship
  6. Chapter 3 Physicochemical parameters and QSAR
  7. Chapter 4 Quantitative models in QSAR
  8. Chapter 5 3D-QSAR in drug designing
  9. Chapter 6 Statistical approaches used in the QSAR
  10. Chapter 7 Molecular and quantum mechanics in drug designing
  11. Chapter 8 Energy minimization techniques in molecular modeling
  12. Chapter 9 Molecular docking and drug–receptor interactions
  13. Chapter 10 ADMET analysis in CADD
  14. Chapter 11 De novo drug designing approaches
  15. Chapter 12 Homology modeling
  16. Chapter 13 Pharmacophore mapping in computer-aided drug designing (CADD)
  17. Chapter 14 Virtual screening approaches in the computer-aided drug designing
  18. Index