Comparative Evaluation of Protein and Ligand Based Docking Protocols through Protein phosphatase Slingshot homolog 2 Complex.

Abstract

A molecular docking study is used to investigate the interactions between the two molecules. These interactions may be covalent, hydrogen, or Van der Waals forces. Various web-based and stand-alone tools have been developed for molecular docking analysis. In this study, we performed a comparison between web-based and stand-alone docking tools to evaluate their accuracy. Five web-based tools i) Dockthor, ii) Patchdock, iii) RPBA Web, iv) Swissdock, v) Patinum and two stand-alone tools1) Autodock Vina & 2) Hex were selected for evaluation of their accuracy in terms of best conformations with minimum binding energies. Protein phosphatase Slingshot homolog 2, SSH2 (PDB ID: 2NT2), and four related proteins were used as the key proteins in this study. Ligands and Proteins interacting with SSH2 in the Novel signaling pathway were investigated through selected tools.

Citation: Khalil. D.N(F2021). Comparative Evaluation of Protein and Ligand Based Docking Protocols through Protein phosphatase Slingshot homolog 2 Complex.The Virtual University of Pakistan. (Lahore, Pakistan)

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