Screening of Potent Phytochemical Inhibitors Against SARS-CoV-2 Main Protease: An Integrative Computational Approach.

In this manuscript, our best three targeted candidates had binding energy values of −8.3, −8.6, and −8.8 kcal/mol, which is highly significant because, in molecular docking approaches, lower binding energy indicates higher binding affinity, and also exhibited better energy than the control systems.

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