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article · Journal of Molecular Structure

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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Research topics

  • Computational Drug Discovery Methods
  • Synthesis and biological activity
  • Click Chemistry and Applications

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DOI: 10.1016/j.molstruc.2024.139500

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