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基于微观模型的多肽螺旋-卷曲转变现象学理论参数计算

[Calculation of parameters of the phenomenological theory of helix-coil transition in polypeptides based on a microscopic model].

作者信息

Aĭrian Sh A, Ananikian N S, Morozov V F

出版信息

Biofizika. 1987 May-Jun;32(3):394-7.

PMID:3620519
Abstract

An expression for the partition function of the model including only two parameters-U (energy of hydrogen bond) and Q (the number of conformations of the repeating unit) with Hamiltonian is obtained. This expression has the form of algebraic series with the number of members approximately N3, N being the length of the chain. The results of calculations of the temperature relationship of helicity degree are presented for different values of N. The transition width and the parameter of cooperativity are calculated.

摘要

得到了该模型配分函数的一个表达式,该表达式仅包含两个参数——U(氢键能量)和Q(重复单元的构象数),并带有哈密顿量。这个表达式具有代数级数的形式,项数约为N³,N为链的长度。给出了不同N值下螺旋度温度关系的计算结果。计算了转变宽度和协同性参数。

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