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Si-miao Lu

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#protein folding Aug 2026

P1.062. Discovery of Novel Dual-Target Inhibitors for EGFR and PIK3CA From Natural Products via Machine Learning and Molecular Simulation

The natural product compounds CNP0456830 and CNP0467494 exhibited the lowest binding free energies for both EGFR and PIK3CA, identifying them as the most promising dual-target inhibitors.

Si-miao Lu, Yi Zhu, Yong-Tao Han et al. · 0 citations

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