Search Results - "Shao, Xubo"
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N‑Acylamino Saccharin as an Emerging Cysteine-Directed Covalent Warhead and Its Application in the Identification of Novel FBPase Inhibitors toward Glucose Reduction
Published in Journal of medicinal chemistry (14-07-2022)“…With a resurgence of covalent drugs, there is an urgent need for the identification of new moieties capable of cysteine bond formation. Herein, we report on…”
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Journal Article -
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DOX_BDW: Incorporating Solvation and Desolvation Effects of Cavity Water into Nonfitting Protein–Ligand Binding Affinity Prediction
Published in Journal of chemical information and modeling (14-08-2023)“…Accurate prediction of the protein–ligand binding affinity (PLBA) with an affordable cost is one of the ultimate goals in the field of structure-based drug…”
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Journal Article