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Quick Guideline for Computational Drug Design (Revised Edition)

  • Book

  • September 2021
  • Bentham Science Publishers Ltd
  • ID: 5456770
Bioinformatics allows researchers to answer biological questions with advanced computational methods which involves the application of statistics and mathematical modeling. Structural bioinformatics enables the prediction and analysis of 3D structures of macromolecules while Computer Aided Drug Designing (CADD) assists scientists to design effective active molecules against diseases. However, the concepts in structural bioinformatics and CADD can be complex to understand for students and educated laymen.

This quick guideline is intended as a basic manual for beginner students and instructors involved in bioinformatics and computational chemistry courses. Readers will learn the basics of structural bioinformatics, primary and secondary analysis and prediction, structural visualization, structural analysis and molecular docking. Therefore, the book is a useful handbook for aspiring scholars who wish to learn the basic concepts in computational analysis of biomolecules.

Table of Contents

Chapter 1 Introduction to Structural Bioinformatics

Chapter 2 Protein Primary Sequence Analysis

Chapter 3 Secondary Structure Analyses

Chapter 4 3D Structure Prediction

Chapter 5 Protein 3D Structure Assessment, Evaluation, and Validation

Chapter 6 Ligand-Based Computational Molecular Docking Analysis

Chapter 7 Protein-Ligand Interactions

Subject Index


Author

  • Sheikh Arslan Sehgal
  • Rana Adnan Tahir
  • Muhammad Waqas