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Ligand Strain Energy in Large Library Docking.
Gu S, Smith MS, Yang Y, Irwin JJ, Shoichet BK. Gu S, et al. J Chem Inf Model. 2021 Sep 27;61(9):4331-4341. doi: 10.1021/acs.jcim.1c00368. Epub 2021 Sep 1. J Chem Inf Model. 2021. PMID: 34467754 Free PMC article.
Large library docking for novel SARS-CoV-2 main protease non-covalent and covalent inhibitors.
Fink EA, Bardine C, Gahbauer S, Singh I, Detomasi TC, White K, Gu S, Wan X, Chen J, Ary B, Glenn I, O'Connell J, O'Donnell H, Fajtová P, Lyu J, Vigneron S, Young NJ, Kondratov IS, Alisoltani A, Simons LM, Lorenzo-Redondo R, Ozer EA, Hultquist JF, O'Donoghue AJ, Moroz YS, Taunton J, Renslo AR, Irwin JJ, García-Sastre A, Shoichet BK, Craik CS. Fink EA, et al. Among authors: gu s. Protein Sci. 2023 Aug;32(8):e4712. doi: 10.1002/pro.4712. Protein Sci. 2023. PMID: 37354015
Supplement to "Effect and Safety of Hydroxysafflor Yellow A for Injection in Patients with Acute Ischemic Stroke of Blood Stasis Syndrome: A Phase II, Multicenter, Randomized, Double-Blind, Multiple-Dose, Active-Controlled Clinical Trial".
Zhou ZY, Wang X, Gu SY, Cai YF. Zhou ZY, et al. Among authors: gu sy. Chin J Integr Med. 2024 May 16. doi: 10.1007/s11655-024-3911-5. Online ahead of print. Chin J Integr Med. 2024. PMID: 38753275 No abstract available.
4,187 results