Knoto-ID：一个利用类结概念研究开放蛋白质链缠结的工具
Knoto-ID: a tool to study the entanglement of open protein chains using the concept of knotoids
摘要：
大多数蛋白质的骨架形成开放曲线。为了研究它们的纠缠，一个常见的策略是使用拓扑不变量搜索它们的主链中是否存在结。然而，这种方法需要将曲线闭合成环，这改变了曲线的几何形状。Knoto-ID允许评估开放曲线的纠缠，而不需要关闭它们，使用最近的概念knotoids，这是经典的结理论开放曲线的推广。Knoto-ID可以分析完整链的全局拓扑结构，也可以通过详尽地研究所有子链或仅确定打结核心来分析局部拓扑结构。Knoto-ID允许定位拓扑非平凡的蛋白质折叠，这些折叠不能通过检测打结蛋白质折叠的信息学工具检测到。
英文摘要：
The backbone of most proteins forms an open curve. To study their entanglement, a common strategy consists in searching for the presence of knots in their backbones using topological invariants. However, this approach requires to close the curve into a loop, which alters the geometry of curve. Knoto-ID allows evaluating the entanglement of open curves without the need to close them, using the recent concept of knotoids which is a generalization of the classical knot theory to open curves. Knoto-ID can analyse the global topology of the full chain as well as the local topology by exhaustively studying all subchains or only determining the knotted core. Knoto-ID permits to localize topologically non-trivial protein folds that are not detected by informatics tools detecting knotted protein folds.
机构、总结、中文摘要均由AI分析而来，可能存在错误，请以论文正文为准。
