Concepts and Experimental Protocols of Modelling and Informatics in Drug Design
eBook - ePub

Concepts and Experimental Protocols of Modelling and Informatics in Drug Design

  1. 396 pages
  2. English
  3. ePUB (mobile friendly)
  4. Available on iOS & Android
eBook - ePub

Concepts and Experimental Protocols of Modelling and Informatics in Drug Design

About this book

Concepts and Experimental Protocols of Modelling and Informatics in Drug Design discusses each experimental protocol utilized in the field of bioinformatics, focusing especially on computer modeling for drug development. It helps the user in understanding the field of computer-aided molecular modeling (CAMM) by presenting solved exercises and examples. The book discusses topics such as fundamentals of molecular modeling, QSAR model generation, protein databases and how to use them to select and analyze protein structure, and pharmacophore modeling for drug targets. Additionally, it discusses data retrieval system, molecular surfaces, and freeware and online servers. The book is a valuable source for graduate students and researchers on bioinformatics, molecular modeling, biotechnology and several members of biomedical field who need to understand more about computer-aided molecular modeling. - Presents exercises with solutions to aid readers in validating their own protocol - Brings a thorough interpretation of results of each exercise to help readers compare them to their own study - Explains each parameter utilized in the algorithms to help readers understand and manipulate various features of molecules and target protein to design their study

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Yes, you can access Concepts and Experimental Protocols of Modelling and Informatics in Drug Design by Om Silakari,Pankaj Kumar Singh in PDF and/or ePUB format, as well as other popular books in Medicine & Pharmaceutical, Biotechnology & Healthcare Industry. We have over one million books available in our catalogue for you to explore.

Table of contents

  1. Cover
  2. Title page
  3. Table of Contents
  4. Copyright
  5. Contents
  6. Preface
  7. Acknowledgment
  8. List of Illustrations
  9. List of Tables
  10. Chapter 1 : Fundamentals of molecular modeling
  11. Chapter 2 : QSAR: Descriptor calculations, model generation, validation and their application
  12. Chapter 3 : Small molecule databases: A collection of promising bioactive molecules
  13. Chapter 4 : Database exploration: Selection and analysis of target protein structures
  14. Chapter 5 : Homology modeling: Developing 3D structures of target proteins missing in databases
  15. Chapter 6 : Molecular docking analysis: Basic technique to predict drug-receptor interactions
  16. Chapter 7 : Molecular dynamic simulations: Technique to analyze real-time interactions of drug-receptor complexes
  17. Chapter 8 : Water mapping: Analysis of binding site spaces to enhance binding
  18. Chapter 9 : Ligand-based pharmacophore modeling: A technique utilized for virtual screening of commercial databases
  19. Chapter 10 : Fragment based drug design: Connecting small substructures for a bioactive lead
  20. Chapter 11 : Scaffold hopping: An approach to improve the existing pharmacological profile of NCEs
  21. Chapter 12 : Hotspot and binding site prediction: Strategy to target proteinā€“protein interactions
  22. Chapter 13 : In-silico SNP analysis: An aid to identify novel potential deleterious SNPs in drug targets
  23. Chapter 14 : ADMET tools: Prediction and assessment of chemical ADMET properties of NCEs
  24. Chapter 15 : Cheminformatic tools: Identify suitable synthesis procedures to realize designed molecules
  25. Chapter 16 : Statistical methods and parameters: Tools to generate and evaluate theoretical in silico models
  26. Glossary
  27. Index