Saigon Institute for Computational Science and Technology, 6 Quarter, Linh Trung Ward, Thu Duc District, Ho Chi Minh City, Vietnam.
J Chem Phys. 2012 Sep 7;137(9):095101. doi: 10.1063/1.4749257.
A new method for determining the size of critical nucleus of fibril formation of polypeptide chains is proposed. Based on the hypothesis that the fibril grows by addition of a nascent peptide to the preformed template, the nucleus size N(c) is defined as the number of forming template peptides above which the time to add a new monomer becomes independent of the template size. Using lattice models one can show that our method and the standard method which is based on calculation of the free energy, provide the same result for N(c).
本文提出了一种确定多肽链原纤维形成临界核大小的新方法。该方法基于原纤维通过添加新生肽段到预形成的模板上生长的假设，将核大小 N(c)定义为形成模板肽段的数量，超过这个数量后，添加新单体的时间将不再依赖于模板的大小。通过使用晶格模型，我们可以证明，对于 N(c)，我们的方法和基于自由能计算的标准方法给出了相同的结果。
