Antifungal activity of the essential oil of Pelargonium graveolens. Molecular docking, molecular dynamics, DFT, and in silico ADMET studies of five derivatives

Autor: 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
Zdroj: In Journal of Molecular Structure 15 December 2023 1294 Part 2
Databáze: ScienceDirect