CALCULATION OF BINDING ISOTHERMS FOR HETEROGENEOUS POLYMERS
CALCULATION OF BINDING ISOTHERMS FOR HETEROGENEOUS POLYMERS
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DOI：
10.1002/bip.1968.360060411
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发表时间：
1968-01-01
期刊：
影响因子：
2.9
通讯作者：
CROTHERS, DM
中科院分区：
文献类型：
--
作者：
CROTHERS, DM
统计力学的矩阵方法被用来计算小分子与聚合物结合的平衡。当只有一种结合位点时，问题很简单;为了说明的目的，给出了一些例子。然而，如果结合位点并不都是等价的，并且结合的分子相互作用或相互干扰，则问题不再是微不足道的，形式上类似于计算异质多肽中的螺旋-卷曲转变平衡。当结合位点的序列是非周期性时，就会出现特殊的困难;大多数天然存在的材料都属于这一类。本文的目的是指出，这类问题是很容易解决的高精度使用随机数方法在高速数字计算机上。一个这样的计算是为了说明。所开发的方法适用于放线菌素，汞++，吖啶染料与DNA的结合等系统。
The matrix method of statistical mechanics is used to calculate equilibria for the binding of small molecules to polymers. When there is only one kind of binding site the problem is simple; some examples are given for illustrative purposes. If, however, the binding sites are not all equivalent and the bound molecules interact or interfere with each other, the problem is no longer trivial, being formally analogous with calculation of the helix-coil transition equilibrium in a heterogeneous polypeptide. Particular difficulties arise when the sequence of binding sites is aperiodic; most naturally occurring materials fall in this class. The purpose of this paper is to point out that problems of this type are readily solved with good accuracy by use of random-number methods on a high-speed digital computer. One such calculation is presented for illustration. The methods developed are applicable to such systems as the binding of actinomycin, Hg++, and acridine dyes to DNA.