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

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Yi-Jie Wang

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Sep 2026

ChalcoVina: Enhancing Molecular Docking Accuracy by Incorporating Chalcogen Bond-Aware Scoring

ChalcoVina is presented, an augmented molecular docking program based on AutoDock Vina that simultaneously evaluates intermolecular and intramolecular ChBs for the first time and can be a blueprint for other σ-hole-mediated interactions, facilitating the inclusion of more nonclassical interactions in SBDD.

Wen-Hao Cai, Zi-Yue Li, Yi-Jie Wang et al. · 0 citations

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