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

Shafi Ullah Khan; Nafees Ahemad; Lay-Hong Chuah; Rakesh Naidu; Thet Thet Htar

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

Shafi Ullah Khan, Nafees Ahemad, Lay-Hong Chuah, Rakesh Naidu, Thet Thet Htar

Research output: Contribution to journal › Article › Other

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 language	English
Article number	a0000054
Number of pages	21
Journal	Progress in Drug Discovery & Biomedical Science
Volume	3
Issue number	1
Publication status	Published - 12 Mar 2020

Keywords

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

UN SDGs

This output contributes to the following UN Sustainable Development Goals (SDGs)

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Cite this

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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",

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AU - Chuah, Lay-Hong

AU - Naidu, Rakesh

AU - Htar, Thet Thet

PY - 2020/3/12

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AB - 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

KW - Molecular docking

KW - case study

KW - AutoDock

KW - human estrogen receptor

KW - protein-ligand interactions

UR - https://journals.hh-publisher.com/index.php/pddbs/article/view/118

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JO - Progress in Drug Discovery & Biomedical Science

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

Abstract

Keywords

UN SDGs

Access to Document

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