Physik-Department, T38, Technische Universität München, James Franck Str. 1, Garching, Germany.
Curr Opin Struct Biol. 2010 Apr;20(2):180-6. doi: 10.1016/j.sbi.2010.02.001. Epub 2010 Mar 1.
Three-dimensional structures of only a small fraction of known protein-protein complexes are currently known. Meanwhile, computational methods are of increasing importance to provide structural models for known protein-protein interactions. Current protein-protein docking methods are often successful if experimentally determined partner proteins undergo little conformational changes upon binding. However, the realistic and computationally efficient treatment of conformational changes especially of the protein backbone during docking remains a challenge. New promising approaches of flexible refinement, ensemble docking and explicit inclusion of flexibility during the entire docking process have been developed. A significant fraction of known protein-protein interactions can be modeled based on homology to known protein-protein complexes which in many cases also requires efficient flexible refinement to provide accurate structural models.
目前已知的蛋白质-蛋白质复合物的三维结构只是一小部分。同时，计算方法对于提供已知蛋白质-蛋白质相互作用的结构模型变得越来越重要。如果实验确定的伴侣蛋白在结合时几乎没有构象变化，当前的蛋白质-蛋白质对接方法通常是成功的。然而，在对接过程中特别是在对接过程中对蛋白质骨架的构象变化进行现实和高效的处理仍然是一个挑战。已经开发了新的有前途的灵活细化、整体对接和在整个对接过程中显式包含灵活性的方法。基于与已知蛋白质-蛋白质复合物的同源性，可以对大量已知的蛋白质-蛋白质相互作用进行建模，在许多情况下，还需要有效的灵活细化来提供准确的结构模型。
