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V. Tran-Nguyen

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Aug 2026

NextTopDocker: A Large-Scale Docking-Power Benchmark Reveals Limitations of Current End-to-End Machine-Learning Docking and the Strength of Hybrid Rescoring

“NextTopDocker” is presented, a large, up-to-date, open-access data set for docking-power assessment comprising 14,038 training and 5201 test entries across 3173 unique protein targets, constructed from the Protein Data Bank.

Cao-Minh Truong, Pedro J. Ballester, O. Taboureau et al. · 0 citations