Illustrated step by step protocol to perform molecular docking: Human estrogen receptor complex with 4-hydroxytamoxifen as a case study

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Abstract

Molecular docking is one of the most frequently used technique in structure-based drug design. Molecular docking can predict the binding-conformation and interactions of small molecule to the appropriate binding site within the target protein. This tutorial aimed to design a step by step protocol to get the basic insight into the molecular docking calculations employing very simple and easy to follow procedure
Original languageEnglish
Article numbera0000054
Number of pages21
JournalProgress in Drug Discovery & Biomedical Science
Volume3
Issue number1
Publication statusPublished - 12 Mar 2020

Keywords

  • Molecular docking
  • case study
  • AutoDock
  • human estrogen receptor
  • protein-ligand interactions

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