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Research Article under-review

Beyond Pose Accuracy: Reproducibility-Oriented Framework For Interpreting Web-Based Molecular Docking Outputs Using Decoupled Localization and Pose Fidelity Metrics

Maniratnam Puli, Venkata Ramana Singamaneni, Nikitha Bennuri, Sravya Peethani, Hawanika Durgam, Sowjanya Varipelli

Context Web-based molecular docking servers are widely used in structure-based modeling due to their accessibility, yet their outputs are commonly evaluated using single-run pose accuracy metrics that...

Journal of Molecular Modeling 2026-04-22 rs-8908837
Web-based docking servers Molecular docking Active site localization Pose accuracy Reproducibility Algorithmic stability
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