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Jongkeun Choi

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Open access Jul 2026

SurroDock: A Deep Learning Surrogate for Accelerated Pre-Docking Ligand Prioritization in Structure-Based Virtual Screening

Results indicate that 2D-based docking-score surrogate modeling can provide a reproducible and retrainable strategy for large-scale structure-based virtual screening by concentrating docking resources on a smaller, enriched subset of compounds.

Jongkeun Choi · 0 citations