Evaluation of flavonoids as potential inhibitors of the SARS-CoV-2 main protease and spike RBD: Molecular docking, ADMET evaluation and molecular dynamics simulations

por Hadni, Hanine, Fitri, Asmae, Benjelloun, Adil Touimi, Benzakour, Mohammed, Mcharfi, Mohammed
Publicado 2022

Computational Investigation of Conformational Properties of Short Azapeptides: Insights from DFT Study and NBO Analysis

por El Khabchi, Mouna, Mcharfi, Mohammed, Benzakour, Mohammed, Fitri, Asmae, Benjelloun, Adil Touimi, Song, Jong-Won, Lee, Kang-Bong, Lee, Ho-Jin
Publicado 2023