Molecular interaction analysis and visualization of protein-ligand docking using Biovia Discovery Studio Visualizer
Umi Baroroh, Zahra Silmi Muscifa, Wanda Destiarani, Fauzian Giansyah Rohmatullah, Muhammad Yusuf · Indonesian Journal of Computational Biology (IJCB) · 2023
Molecular docking interpretation is one of the crucial part before determining the result. Docking is commonly used to study the biomolecular interaction, usually for protein-ligand interaction, and to study about the molecular mechanism. Analysis of molecular interaction can help user to determine the strengthened of docking results, besides free energy of binding. In this protocol, analysis of molecular interaction as well as the surface characteristic of receptor was discussed in detail. In addition, the visualization to obtain suitable pictures for publications also included. The entire protocol will spend more of less 2 hours.