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
-
Published:2025-01
Issue:
Volume:1320
Page:139500
-
ISSN:0022-2860
-
Container-title:Journal of Molecular Structure
-
language:en
-
Short-container-title:Journal of Molecular Structure
Author:
El Rhabori SaidORCID,
Alaqarbeh Marwa,
El Allouche Yassine,
Naanaai Lhoucine,
El Aissouq Abdellah,
Bouachrine Mohammed,
Chtita SamirORCID,
Khalil Fouad