分子动力学模拟和 MM-GBSA 揭示了一种针对流感 A RNA 依赖性 RNA 聚合酶的新型小分子

Journal of Biomolecular Structure and Dynamics Pub Date : 2023-12-13 DOI:10.1080/07391102.2023.2293263

Ahmed Samir, Wael M. Elshemey, Abdo A. Elfiky

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引用次数: 0

摘要

三种不同来源的甲型流感RNA聚合酶的酸性聚合酶(PA)组分的c末端结构域(CTD)与人类聚合酶II CTD的三个七肽重复序列之间的相互作用。

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Molecular dynamics simulations and MM-GBSA reveal a novel small molecule against Flu A RNA-dependent RNA polymerase

The interaction between the C-terminal domain (CTD) of the polymerase acidic (PA) component of three Flu A RNA polymerases of different origins and three heptad repeats from human polymerase II CTD...

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Journal of Biomolecular Structure and Dynamics

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