前瞻性应用案例。USR算法已在众多筛药实践中被验证有效,成功筛选出创新抑制物。这些前瞻性应用案例囊括了Falcipain-2疟原虫半胱氨酸蛋白酶、Arylamine NATs芳香胺N-乙酰基转移酶、DHQase2脱氢奎宁酸脱水酶II型、PAD4蛋白质精氨酸脱亚氨酶4型、PRL-3再生肝脏的磷酸酶等多种分子靶标,以及Colon cancer cell lines大肠癌细胞等的表型靶标:
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Patil,S.P., Ballester,P.J. and Kerezsi,C.R. (2014) Prospective virtual screening for novel p53-MDM2 inhibitors using ultrafast shape recognition. J. Comput. Aided. Mol. Des., 28, 89–97.