Bioinformatics Centre, Indian Institute of Science, Bangalore, India.
FEBS Lett. 2010 Mar 19;584(6):1163-8. doi: 10.1016/j.febslet.2010.02.021. Epub 2010 Feb 12.
A number of methods exist that use different approaches to assess geometric properties like the surface complementarity and atom packing at the protein-protein interface. We have developed two new and conceptually different measures using the Delaunay tessellation and interface slice selection to compute the surface complementarity and atom packing at the protein-protein interface in a straightforward manner. Our measures show a strong correlation among themselves and with other existing measures, and can be calculated in a highly time-efficient manner. The measures are discriminative for evaluating biological, as well as non-biological protein-protein contacts, especially from large protein complexes and large-scale structural studies (http://pallab.serc.iisc.ernet.in/nip_nsc).
有许多方法使用不同的方法来评估几何性质，如蛋白质-蛋白质界面的表面互补性和原子堆积。我们使用 Delaunay 三角剖分和界面切片选择开发了两种新的、概念不同的度量方法，以直接计算蛋白质-蛋白质界面的表面互补性和原子堆积。我们的度量方法彼此之间以及与其他现有度量方法之间具有很强的相关性，并且可以以非常高效的方式计算。这些度量方法对于评估生物和非生物蛋白质-蛋白质接触特别有用，特别是来自大型蛋白质复合物和大规模结构研究的接触(http://pallab.serc.iisc.ernet.in/nip_nsc)。
