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Laust Moesgaard

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Open access Jul 2026

Modeling the Sensitivity of Large-Scale Virtual Screening to Scoring Function Accuracy, Artifacts, and Library Composition

A quantitative framework for understanding how docking performance responds to methodological improvements has been lacking is developed by modeling large-scale experiments from three previously published docking campaigns, providing an objective basis for benchmarking and comparing virtual screening approaches.

Laust Moesgaard, Brian K. Shoichet, Olivier Mailhot · 1 citation