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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 Abstract - 1324 PDF - 364

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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DOI: https://doi.org/10.36877/pddbs.a0000054.

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