Authors: Sheikh Arslan Sehgal, Rana Adnan Tahir, A. Hammad Mirza, Asif Mir

Quick Guideline for Computational Drug Design

eBook: US $39 Special Offer (PDF + Printed Copy): US $118
Printed Copy: US $99
Library License: US $156
ISBN: 978-1-68108-604-0 (Print)
ISBN: 978-1-68108-603-3 (Online)
Year of Publication: 2018
DOI: 10.2174/97816810860331180101

Introduction

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.

Foreword

- Pp. i-ii (1)
Muhammad Ismail
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Preface

- Pp. iii-iv (2)
Sheikh Arslan Sehgal
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Dedication

- Pp. v
Sheikh Arslan Sehgal
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Acknowledgements

- Pp. vi
Sheikh Arslan Sehgal
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Introduction to Structural Bioinformatics

- Pp. 1-11 (11)
Sheikh Arslan Sehgal, Rana Adnan Tahir, A. Hammad Mirza and Asif Mir

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Protein Primary Sequence Analysis

- Pp. 12-16 (5)
Sheikh Arslan Sehgal, Rana Adnan Tahir, A. Hammad Mirza and Asif Mir

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Secondary Structure Analyses

- Pp. 17-21 (5)
Sheikh Arslan Sehgal, Rana Adnan Tahir, A. Hammad Mirza and Asif Mir

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3D Structure Prediction

- Pp. 22-55 (34)
Sheikh Arslan Sehgal, Rana Adnan Tahir, A. Hammad Mirza and Asif Mir

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Structure Evaluation

- Pp. 56-78 (23)
Sheikh Arslan Sehgal, Rana Adnan Tahir, A. Hammad Mirza and Asif Mir

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Visualization of Predicted Structure

- Pp. 79-89 (11)
Sheikh Arslan Sehgal, Rana Adnan Tahir, A. Hammad Mirza and Asif Mir

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Molecular Docking Studies

- Pp. 90-127 (38)
Sheikh Arslan Sehgal, Rana Adnan Tahir, A. Hammad Mirza and Asif Mir

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Subject Index

- Pp. 128-133 (6)
Sheikh Arslan Sehgal
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