利用XSEDE资源攻击HIV、肺结核和组织胞浆菌病

David Toth, Jimmy Franco, C. Berkes
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引用次数: 3

摘要

艾滋病毒、结核病和组织胞浆菌病是影响全世界数百万人的传染病。我们描述了我们为寻找这些疾病的治疗方法所做的努力,使用虚拟筛选技术,利用XSEDE超级计算机之一识别这些生物体中必要蛋白质的可能抑制剂。我们已经完成了虚拟筛选,并为每种疾病找到了有希望的化合物。细胞培养实验支持了许多化合物对组织胞浆菌病和结核病都有效的可能性。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Attacking HIV, tuberculosis and histoplasmosis with XSEDE resources
HIV, tuberculosis and histoplasmosis are infectious diseases that affect millions of people world-wide. We describe our efforts to find cures for these diseases using the technique of virtual screening to identify possible inhibitors for essential proteins in these organisms using one of the XSEDE supercomputers. We have completed the virtual screens and have found promising compounds for each disease. Cell culture experiments have supported the likelihood of a number of the compounds being effective for treating both histoplasmosis and tuberculosis.
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