Hill T L, Chen Y D
Proc Natl Acad Sci U S A. 1978 Nov;75(11):5260-3. doi: 10.1073/pnas.75.11.5260.
In this work, Monte Carlo calculations were made on a 10 x 10 lattice of two-state, steady-state enzyme molecules in two special cases for which the Bragg-Williams (mean field) approximation had earlier produced some very interesting phase-transition properties. The Monte Carlo results proved to be similar to Bragg-Williams in some respects but not in others. The discrepancies are attributed primarily to; (i) inadequate treatment by Bragg-Williams of strong negative cooperativity; and (ii) the finite size of the 10 x 10 lattice used in the exact calculations.
在这项工作中,针对两种特殊情况,对由两态稳态酶分子构成的10×10晶格进行了蒙特卡罗计算,而布拉格 - 威廉姆斯(平均场)近似法此前在这两种情况下得出了一些非常有趣的相变特性。蒙特卡罗计算结果在某些方面与布拉格 - 威廉姆斯的结果相似,但在其他方面则不然。这些差异主要归因于:(i)布拉格 - 威廉姆斯对强负协同性的处理不足;(ii)精确计算中所使用的10×10晶格的有限尺寸。