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自缔合体系的模拟研究;特定缔合与等键缔合之间的区分

Simulation studies of self-associating systems; discrimination between specific and isodesmic associations.

作者信息

Lewis M S, Knott G D

出版信息

Biophys Chem. 1976 Jul;5(1-2):171-83. doi: 10.1016/0301-4622(76)80033-6.

DOI:10.1016/0301-4622(76)80033-6
PMID:963213
Abstract

The possibilities of discriminating between definite and indefinite (isodesmic) modes of self-association are explored by fitting the different models to stimulated data, using non-linear least-squares curve-fitting to determine the fitting parameters for real and impostor models. It was found that over an extensive range of values for the equilibrium constant of a non-ideal isodesmic generating model, only a non-ideal monomer-dimer-tetramer-octamer was a successful impostor model. Some criteria for rejecting inappropriate models are discussed.

摘要

通过将不同模型拟合到模拟数据,利用非线性最小二乘法曲线拟合来确定真实模型和伪模型的拟合参数,探讨了区分自缔合的确定模式和不确定(等键)模式的可能性。结果发现,在非理想等键生成模型的平衡常数的广泛取值范围内,只有非理想的单体-二聚体-四聚体-八聚体是成功的伪模型。讨论了一些拒绝不适当模型的标准。

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