Discovery of novel STAT3 inhibitors with anti-breast cancer activity: structure-based virtual screening, molecular dynamics and biological evaluation.
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| Main Authors: | Wang, Jinhui, Zhang, Peijie, Yu, Yalin, Yi, Yan, Jiang, Yongjun, Hu, Shiwei |
|---|---|
| Format: | Artículo científico |
| Language: | en |
| Published: |
RSC medicinal chemistry
2025
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| Online Access: | |
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