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Flexibility-driven design of etoposide derivatives targeting Daam1: a thermodynamics-guided strategy against breast

Xinqi Zhu1,2,3, Yuhang Shen1, Peifang Cao1

  • 1School of Pharmacy, Nanjing Medical University, Nanjing, 211166, China.

Journal of Computer-Aided Molecular Design
|May 29, 2026
PubMed

Keywords:
Breast cancerDaam1Etoposide derivativesFree energy perturbationMolecular dynamics

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