Molecular dynamics simulation data of designed cyclic peptide (ligand-binding)
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Trajectories of ligand binding simulation and simulation set-up files of designed cyclic peptide as MDM2 binders. <br> The original paper of these designed cyclic peptide: Danelius, E., Pettersson, M., Bred, M., Min, J., Waddell, M. B., Guy, R. K., et al. (2016). Flexibility is important for inhibition of the MDM2/p53 protein–protein interaction by cyclic β-hairpins. <em>Org. Biomol. Chem.</em>, <em>14</em>(44), 10386–10393. http://doi.org/10.1039/C6OB01510G
本数据集包含作为MDM2（Mouse Double Minute 2）结合剂的设计环状肽的配体结合模拟轨迹及模拟设置文件。上述设计环状肽的相关原始研究论文如下：Danelius E, Pettersson M, Bred M, Min J, Waddell MB, Guy RK 等. (2016) 柔性对于环状β发夹结构抑制MDM2/p53蛋白-蛋白相互作用至关重要. *Org. Biomol. Chem.*, *14*(44), 10386–10393. http://doi.org/10.1039/C6OB01510G
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Zenodo创建时间：
2020-11-18
