A threefold approach including quantum chemical, molecular docking and molecular dynamic studies to explore the natural compounds from Centaurea jacea as the potential inhibitors for COVID-19

S. Muhammad, M. F. Maqbool, A. G. Al-Sehemi, A. Iqbal, M. Khan, S. Ullah, M. T. Khan

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Pharmacology, Toxicology and Pharmaceutical Science

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Chemistry