
Computer-Aided Drug Design
QSAR, Molecular Docking, Virtual Screening, Homology and Pharmacophore Modeling
- 351 pages
- English
- ePUB (mobile friendly)
- Available on iOS & Android
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.
Frequently asked questions
- Essential is ideal for learners and professionals who enjoy exploring a wide range of subjects. Access the Essential Library with 800,000+ trusted titles and best-sellers across business, personal growth, and the humanities. Includes unlimited reading time and Standard Read Aloud voice.
- Complete: Perfect for advanced learners and researchers needing full, unrestricted access. Unlock 1.4M+ books across hundreds of subjects, including academic and specialized titles. The Complete Plan also includes advanced features like Premium Read Aloud and Research Assistant.
Please note we cannot support devices running on iOS 13 and Android 7 or earlier. Learn more about using the app.
Information
Table of contents
- Title Page
- Copyright
- Contents
- Chapter 1âIntroduction to computer-aided drug design (CADD)
- Chapter 2âQuantitative structureâactivity relationship
- Chapter 3âPhysicochemical parameters and QSAR
- Chapter 4âQuantitative models in QSAR
- Chapter 5â3D-QSAR in drug designing
- Chapter 6âStatistical approaches used in the QSAR
- Chapter 7âMolecular and quantum mechanics in drug designing
- Chapter 8âEnergy minimization techniques in molecular modeling
- Chapter 9âMolecular docking and drugâreceptor interactions
- Chapter 10âADMET analysis in CADD
- Chapter 11âDe novo drug designing approaches
- Chapter 12âHomology modeling
- Chapter 13âPharmacophore mapping in computer-aided drug designing (CADD)
- Chapter 14âVirtual screening approaches in the computer-aided drug designing
- Index