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

El Rhabori, Said; Alaqarbeh, Marwa; El Allouche, Yassine; Naanaai, Lhoucine; El Aissouq, Abdellah; Bouachrine, Mohammed; Chtita, Samir; Khalil, Fouad

doi:10.1016/j.molstruc.2024.139500

Journal of Molecular Structure

2025

DOI: 10.1016/j.molstruc.2024.139500

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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

Said El Rhabori,

Marwa Alaqarbeh,

Yassine El Allouche

et al.

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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

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References 73 publications

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