Kim Seung-Yeon, Lee Sang Bub, Lee Jooyoung
School of Computational Sciences, Korea Institute for Advanced Study, Dongdaemun-gu, Seoul.
Phys Rev E Stat Nonlin Soft Matter Phys. 2005 Jul;72(1 Pt 1):011916. doi: 10.1103/PhysRevE.72.011916. Epub 2005 Jul 26.
The optimization results by conformational space annealing are presented for an off-lattice protein model consisting of hydrophobic and hydrophilic residues in Fibonacci sequences. The ground-state energies found are lower than those reported in the literature. In addition, the ground-state conformations in three dimensions exhibit the important aspect of forming a single hydrophobic core in real proteins. The energy landscape for the population of local minima is also investigated.
本文展示了通过构象空间退火得到的优化结果，该结果针对的是一个由斐波那契序列中的疏水和亲水残基组成的非晶格蛋白质模型。所发现的基态能量低于文献中报道的能量。此外，三维基态构象展现出了真实蛋白质中形成单个疏水核心的重要特征。同时，还研究了局部极小值群体的能量景观。
