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

Author

J. Kirchmair

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Open access Aug 2026

Enhanced Line Search Improves Robustness and Efficiency of Pose Sampling in Protein–Ligand Docking

An enhanced local optimization strategy based on curved line search (CLS) is introduced and integrated into AutoDock Vina, resulting in Vina_CLS, demonstrating that improved local optimization can substantially enhance docking performance.

Leo Gaskin, Matthias Welsch, J. Kirchmair et al. · 0 citations

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