Open access peer-reviewed Edited volume

Molecular Docking

Edited by Dimitrios Vlachakis

Agricultural University of Athens

Molecular docking has always been and will be on the forefront of developments in the eminent field of drug design and medicinal chemistry. At the early days, drug discovery was based on blackboard drawings and expert intuition. However, as times move on, the amount of available information and overall knowledge base that needs to be analyzed cannot be processed manually. This, coupled by the rapid growth in computational infrastructure and processing power, has allowed for the efficient use of molecular docking tools and algorithms to be considered in the greater field of drug discovery. In the postgenomic era, molecular docking has become the key player for the screening of hundreds of thousands of compounds against a repertoire of pharmacological targets.

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IntechOpen
Molecular DockingEdited by Dimitrios Vlachakis

Published: July 11th 2018

DOI: 10.5772/intechopen.69830

ISBN: 978-1-78923-355-1

Print ISBN: 978-1-78923-354-4

Books open for chapter submissions

375 Total Chapter Downloads

chaptersDownloads

Open access peer-reviewed

1. Introductory Chapter: Molecular Docking - Overview, Background, Application and What the Future Holds

By Dimitrios Vlachakis

37

Open access peer-reviewed

2. Molecular Docking Studies of Enzyme Inhibitors and Cytotoxic Chemical Entities

By Sadia Sultan, Gurmeet Kaur Surindar Singh, Kamran Ashraf and Muhammad Ashraf

36

Open access peer-reviewed

3. Molecular Docking for Detoxifying Enzyme Studies

By Rafael Trindade Maia and Vinícius Costa Amador

103

Open access peer-reviewed

4. A Click Chemistry Approach to Tetrazoles: Recent Advances

By Ravi Varala and Bollikolla Hari Babu

32

Open access peer-reviewed

5. Docking Studies on Novel Analogues of 8-Chloro-Quinolones against Staphylococcus aureus

By Lucia Pintilie and Amalia Stefaniu

37

Open access peer-reviewed

6. Molecular Docking in Halogen Bonding

By Abel Suárez-Castro, Mario Valle-Sánchez, Carlos Jesús Cortés-García and Luis Chacón-García

45

Open access peer-reviewed

7. A Combined Molecular Docking and Electronic Structure Study for a Breast Cancer Drug Design

By Linda-Lucila Landeros-Martinez, Daniel Glossman-Mitnik, Erasmo Orrantia-Borunda and Norma Flores-Holguin

37

Open access peer-reviewed

8. Has Molecular Docking Ever Brought us a Medicine?

By Mark Andrew Phillips, Marisa A. Stewart, Darby L. Woodling and Zhong-Ru Xie

48

Edited volume and chapters are indexed in

  • Worldcat
  • OpenAIRE
  • Google Scholar
  • AZ ebsco
  • Base
  • CNKI

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