Antifungal activity of the essential oil of Pelargonium graveolens. Molecular docking, molecular dynamics, DFT, and in silico ADMET studies of five derivatives - Grine, Sara; Taibi, Faiza; Berredjem, Malika; Dekir, Ali; Benaliouche, Fouzia; Rachedi, Khadidja Otmane; Acidi, Anissa; Iqbal, Nasir; Bhat, Ajmal R.; Niranjan, Vidya; C, Lavanya; Soltani, Noureddine (Journal of molecular structure, 2023)
Keywords: Adme/toxicity; Antifungal activity; DFT; Molecular docking; Molecular dynamics; Pelargonium graveolens; Adme/toxicity; Molecular dynamics; Antifungal activity; DFT; Pelargonium graveolens; Molecular docking