标题： 孤立子概念与蛋白质结构 显示英文标题

标题： Soliton concepts and the protein structure

摘要： 结构分类表明，不同的蛋白质折叠数意外地少。此外，蛋白质似乎是以模块化的方式，由相对较少的组分构建而成。在这里，我们建议用广义离散非线性薛定谔方程的暗孤子解来识别蛋白质的模块化构建块。为此，我们展示出几乎所有蛋白质环都可以通过简单地调整大小，并依次连接多个孤子的副本而获得。孤子只有两个与环相关的参数，我们在蛋白质数据库中确定了这些参数的可能值。我们证明，使用一组200个参数集合（每个集合确定一个描述不同短环的孤子轮廓），我们可以以实验精度覆盖超过90%的所有蛋白质。我们还给出了两个例子，说明如何利用环库来模拟和分析折叠蛋白的结构。 显示英文摘要

摘要： Structural classification shows that the number of different protein folds is surprisingly small. It also appears that proteins are built in a modular fashion, from a relatively small number of components. Here we propose to identify the modular building blocks of proteins with the dark soliton solution of a generalized discrete nonlinear Schrodinger equation. For this we show that practically all protein loops can be obtained simply by scaling the size and by joining together a number of copies of the soliton, one after another. The soliton has only two loop specific parameters and we identify their possible values in Protein Data Bank. We show that with a collection of 200 sets of parameters, each determining a soliton profile that describes a different short loop, we cover over 90% of all proteins with experimental accuracy. We also present two examples that describe how the loop library can be employed both to model and to analyze the structure of folded proteins.