Sex_Hormone_Receptors_and_Their_Physical_Interaction_with_Sonic_Hedgehog_Protein-dataset

This dataset includes initial complex structures (acquired through a protein-protein docking study conducted by the Hdock server, denoted by the 'start' suffix at the end of the respective name of the complex) used for the study of sex hormone receptors (estrogen receptor alpha (ERalpha), androgen receptor (AR), and progesterone receptor (PR)) and their physical interaction with the mature form of the Sonic Hedgehog protein (SHH-N). These structures were subjected to robust MD simulations. The final optimized structures, with indicated simulation time in nanoseconds (appended as a suffix at the end of the respective name of the complex) are also provided.本数据集包含用于性激素受体（雌激素α受体（estrogen receptor alpha, ERα）、雄激素受体（androgen receptor, AR）以及孕激素受体（progesterone receptor, PR））研究，以及上述受体与Sonic Hedgehog蛋白（Sonic Hedgehog protein, SHH-N）的成熟形式物理相互作用研究的初始复合结构。该类初始复合结构通过Hdock服务器（Hdock server）开展的蛋白质-蛋白质对接（protein-protein docking）研究获得，其对应复合物名称的末尾带有“start”后缀作为标识。研究人员对所有上述初始复合结构开展了鲁棒性分子动力学模拟。本次发布同时提供了最终优化后的复合结构，这类结构的对应复合物名称末尾附带了以纳秒为单位标注的模拟时长后缀。