DockPro: a VR-based tool for protein-protein docking problem
DockPro: a VR-based tool for protein-protein docking problem
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DockPro：基于 VR 的蛋白质-蛋白质对接问题工具
DOI：
10.1145/1477862.1477877
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发表时间：
2008
期刊：
影响因子：
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通讯作者：
Selim Balcisoy
中科院分区：
文献类型：
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作者：
S. Cakici;Selcuk Sumengen;O. U. Sezerman;Selim Balcisoy
蛋白质是对所有生物体都至关重要的大分子，它们是许多工业产品的重要组成部分。将一个蛋白质与另一个蛋白质结合的过程称为蛋白质-蛋白质对接。已经提出了许多自动化算法来寻找可能产生有前途的蛋白质-蛋白质复合物的对接构型。然而，这些自动化方法可能会出现误报，并且计算成本很高。因此，虚拟现实已被用来利用用户的经验上的问题，并提出的应用程序可以进一步改善。触觉装置已被用于分子对接问题，但由于其工作空间的限制，它们不适合蛋白质-蛋白质对接。而不是触觉渲染的力量，我们提供了一种新的视觉反馈模拟蛋白质的物理化学力量。我们提出了一个交互式的3D应用程序，DockPro，它使领域的专家拿出对接的蛋白质-蛋白质夫妇通过使用磁跟踪器和手套在前面的一个大的显示器。
Proteins are large molecules that are vital for all living organisms and they are essential components of many industrial products. The process of binding a protein to another is called protein-protein docking. Many automated algorithms have been proposed to find docking configurations that might yield promising protein-protein complexes. However, these automated methods are likely to come up with false positives and have high computational costs. Consequently, Virtual Reality has been used to take advantage of user's experience on the problem; and proposed applications can be further improved. Haptic devices have been used for molecular docking problems; but they are inappropriate for protein-protein docking due to their workspace limitations. Instead of haptic rendering of forces, we provide a novel visual feedback for simulating physicochemical forces of proteins. We propose an interactive 3D application, DockPro, which enables domain experts to come up with dockings of protein-protein couples by using magnetic trackers and gloves in front of a large display.