Exploring innovative strategies for identifying anti-breast cancer compounds by integrating 2D/3D-QSAR, molecular docking analyses, ADMET predictions, molecular dynamics simulations, and MM-PBSA approaches

Autor: El Rhabori, Said, Alaqarbeh, Marwa, El Allouche, Yassine, Naanaai, Lhoucine, El Aissouq, Abdellah, Bouachrine, Mohammed, Chtita, Samir, Khalil, Fouad
Zdroj: In Journal of Molecular Structure 15 January 2025 1320
Databáze: ScienceDirect