Machine learning-based screening and molecular simulations for discovering novel PARP-1 inhibitors targeting DNA repair mechanisms for breast cancer therapy

作者：Muhammad Shahab, Muhammad Waqas, Aamir Fahira, Bharat Prasad Sharma, Haoke Zhang, Guojun Zheng, Zunnan Huang · 发表于：Molecular Diversity · 年份：2025 · DOI：10.1007/s11030-025-11119-4 · 研究领域：PARP inhibition in cancer therapy、Computational Drug Discovery Methods