Berry R S, Elmaci N, Rose J P, Vekhter B
Department of Chemistry, University of Chicago, 5735 South Ellis Avenue, Chicago, IL 60637, USA.
Proc Natl Acad Sci U S A. 1997 Sep 2;94(18):9520-4. doi: 10.1073/pnas.94.18.9520.
The "3-color, 46-bead" model of a folding polypeptide is the vehicle for adapting to proteins a mode of analysis used heretofore for atomic clusters, to relate the topography of the potential surface to the dynamics that lead to formation of selected structures. The analysis is based on sequences of stationary points-successive minima, joined by saddles-that rise monotonically in energy from basin bottoms. Like structure-seeking clusters, the potential surface of the model studied here is staircase-like, rather than sawtooth-like, with highly collective motions required for passage from one minimum to the next. The surface has several deep basins whose minima correspond to very similar structures, but which are separated by high energy barriers.
折叠多肽的“三色、46珠”模型是一种工具，用于将迄今用于原子簇的分析模式应用于蛋白质，以便将势能面的拓扑结构与导致选定结构形成的动力学联系起来。该分析基于驻点序列——由鞍点连接的连续极小值，这些鞍点的能量从盆地底部单调上升。与寻找结构的簇一样，这里研究的模型的势能面是阶梯状的，而不是锯齿状的，从一个极小值过渡到下一个极小值需要高度协同的运动。该表面有几个深盆地，其极小值对应于非常相似的结构，但被高能垒隔开。
