Kinetics of nucleic acid–large ligand interactions: Exact Monte Carlo treatment and limitingl cases of reversible binding
Kinetics of nucleic acid–large ligand interactions: Exact Monte Carlo treatment and limitingl cases of reversible binding
复制标题
核酸-大配体相互作用的动力学：精确蒙特卡罗处理和可逆结合的限制情况
DOI：
--
复制
发表时间：
1979
期刊：
影响因子：
--
通讯作者：
I. Epstein
中科院分区：
文献类型：
--
作者：
I. Epstein
许多配体，包括碱性多肽、组蛋白和其他蛋白质，以这样的方式非特异性地结合DNA，使得无法进一步结合几个连续位点（通常是碱基或碱基对）。这样的大配体结合的动力学的准确描述需要一个更复杂的理论分析比小配体与DNA的结合的研究。这个问题的精确解析解似乎不可行。相反，开发了一种Monte Carlo方法，该方法通过使用模型一维晶格模拟结合实验来表示DNA分子，从而提供基本上精确的数值解。对于完全不可逆结合和结合配体沿晶格沿着的瞬时再分布的极限情况，可以写出相对简单的方程并求解结合动力学。这些解决方案及其适用范围进行了详细讨论。
Many ligands, including basic polypeptides, histones, and other proteins bind nonspecifically to DNA in such a way as to render unavailable for further binding several contiguous sites (generally bases or base pairs). An accurate description of the kinetics of such large ligand binding requires a more complex theoretical analysis than does the study of the binding of small ligands to DNA. An exact analytical solution of the problem does not appear feasible. Instead, a Monte Carlo approach is developed which provides an essentially exact numerical solution by simulating the binding experiment using a model one‐dimensional lattice to represent the DNA molecule. For the limiting cases of totally irreversible binding and of instantaneous redistribution of bound ligands along the lattice, relatively simple equations can be written and solved for the binding kinetics. These solutions and their realms of applicability are discussed in some detail.