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Sponsored Artificial Intelligence: A Modern Approach, Global Edition Artificial Intelligence: A Modern Approach, Global Edition

Author

Li-Hua Zhao

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Sep 2026

Molecular simulation reveals spontaneous allosteric binding of BMS-357075 to human cyclin-dependent kinase 20.

Cyclin-dependent kinase 20 (CDK20) is a promising oncology target, but the lack of high-resolution complex structures limits drug development. Here, we investigated the spontaneous association of BMS-357075 with CDK20 using microsecond-scale unbiased molecular dynamics simulations, including an extended 2.0-μs trajecto...

Hai-Xia Zhu, Wen-Shuai Xuan, Yan-Hong Wang et al. · 0 citations

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