Magee James E, Song Zhankai, Curtis Robin A, Lue Leo
School of Chemical Engineering and Analytical Science, The University of Manchester, P.O. Box 88, Sackville Street, Manchester, M60 1QD, United Kingdom.
J Chem Phys. 2007 Apr 14;126(14):144911. doi: 10.1063/1.2717924.
We have studied the competition between helix formation and aggregation for a simple polymer model. We present simulation results for a system of two such polymers, examining the potential of mean force, the balance between intermolecular and intramolecular interactions, and the promotion or disruption of secondary structure brought on by the proximity of the two molecules. In particular, we demonstrate that proximity between two such molecules can stabilize secondary structure. However, for this model, observed secondary structure is not stable enough to prevent collapse of the system into an unstructured globule.
我们研究了一种简单聚合物模型中螺旋形成与聚集之间的竞争。我们给出了两个此类聚合物体系的模拟结果，考察了平均力势、分子间和分子内相互作用的平衡，以及两个分子靠近所导致的二级结构的促进或破坏。特别地，我们证明了两个此类分子之间的靠近能够稳定二级结构。然而，对于该模型，观察到的二级结构不够稳定，无法防止体系坍缩成无结构的球状体。
