Computational integration for antifungal 1,2,4-triazole inhibitors design: QSAR, molecular docking, molecular dynamics simulations, ADME/Tox, and retrosynthesis studies

Autor: Bouamrane, Soukaina, Khaldan, Ayoub, Alaqarbeh, Marwa, Sbai, Abdelouahid, Ajana, Mohammed Aziz, Lakhlifi, Tahar, Bouachrine, Mohammed, Maghat, Hamid
Zdroj: In Chemical Physics Impact June 2024 8
Databáze: ScienceDirect