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Kai Chen

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One-Shot Rational Design of Covalent Drugs with CovalentLab

CovalentLab is introduced, an interactive computational platform that integrates ligand-based and warhead-based strategies into a unified workflow for the rational design of covalent ligands and enables the prediction and ranking of nine classes of covalent-binding residues in proteins according to their reactivity.

Xi Xue, Xiangying Liu, Xue Liu et al. · 4 citations · ⚡1

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