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Ligand binding on ladder lattices

机译:配体在梯形晶格上的结合

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摘要

The ligand binding problems on two-dimensional ladders, which model many important binding phenomena in molecular biology, are studied in details. The model is represented by four parameters, the interactions between ligands when bound to adjacent sites on opposite legs of the ladder (#tau#), the interactions between bound ligands in the longitudinal direction of the ladder (#sigma#), the number of binding sites that are covered by a bound ligand (m), and the intrinsic binding constant (K). The partition functions of ring ladders are approached with the transfer matrix method. A general relation is derived which connects the partition function of a linear ladder with that of a ring ladder. The results obtained apply to the general situation of multivalent binding, in which m > 1. Special attention is paid to the case where the ligand covers one site (m = 1). In this case explicit formulas are given for the partition functions of ring and linear ladders. Closed-form expressions are obtained for various properties of the system, including the degree of binding (#theta#), the midpoint in the binding isotherm (1/#tau##sigma#), the initial and end slopes of the Scatchard plots (2#sigma#+#tau#-4 and -#sigma#~2#tau#, respectively). From these closed-form formulas, #sigma# and #tau# may be extracted from experimental data. The model reveals certain features which do not exist in one-dimensional models. Using the general method discussed in [1], the recurrence relation is found for the partition functions. The analytical solution found for this model provides test cases to verify the numerical results for more complex two-dimensional models.
机译:详细研究了二维阶梯上的配体结合问题,该问题模拟了分子生物学中许多重要的结合现象。该模型由四个参数表示,当结合到梯子相对立的腿上的相邻位点时,配体之间的相互作用(#tau#),沿着梯子的纵向方向的结合的配体之间的相互作用(#sigma#),被结合的配体(m)覆盖的结合位点和固有结合常数(K)。环形梯子的分配函数通过传递矩阵法求出。推导了将线性梯子的分配函数与环形梯子的分配函数连接起来的一般关系。获得的结果适用于多价结合的一般情况,其中m>1。要特别注意配体覆盖一个位点(m = 1)的情况。在这种情况下,给出了针对环形和线性阶梯的分配函数的明确公式。对于系统的各种属性,可以获得封闭形式的表达式,包括绑定度(#theta#),绑定等温线的中点(1 /#tau ## sigma#),Scatchard图的初始斜率和结束斜率(分别为2#sigma#+#tau#-4和-#sigma#〜2#tau#)。从这些封闭形式的公式中,可以从实验数据中提取#sigma#和#tau#。该模型揭示了一维模型中不存在的某些特征。使用[1]中讨论的通用方法,可以找到分区函数的递归关系。为该模型找到的解析解决方案提供了测试案例,以验证更复杂的二维模型的数值结果。

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