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一个用于分子亲和力及与伊辛变量结合的示意图模型。

A schematic model for molecular affinity and binding with Ising variables.

作者信息

Thalmann F

机构信息

Institut Charles Sadron, Université de Strasbourg, CNRS UPR 22, 23 rue du Loess, BP 84047, F-67034 Strasbourg Cedex, France.

出版信息

Eur Phys J E Soft Matter. 2010 Apr;31(4):441-54. doi: 10.1140/epje/i2010-10600-9.

Abstract

After discussing the relevance of statistical physics in molecular recognition processes, we present a schematic model for ligand-receptor association based on an Ising chain. We discuss the possible behaviors of the affinity when the stiffness of the ligand increases. We also consider the case of flexible receptors. A variety of interesting behaviors is obtained, including some affinity modulation upon bond hardening or softening. The affinity of a ligand for its receptor is shown to depend on the details of its rigidity profile, and we question the possibility of encoding information in the rigidities as well as in the shape. An exhaustive study of the selectivity of patterns with length n < 8 is carried out. Connection with other spin models, in particular spin glasses is mentioned in the conclusion.

摘要

在讨论了统计物理学在分子识别过程中的相关性之后,我们提出了一个基于伊辛链的配体 - 受体结合的示意模型。我们讨论了配体刚度增加时亲和力的可能行为。我们还考虑了柔性受体的情况。获得了各种有趣的行为,包括键硬化或软化时的一些亲和力调节。结果表明,配体对其受体的亲和力取决于其刚性分布的细节,并且我们质疑在刚性以及形状中编码信息的可能性。对长度n < 8的模式的选择性进行了详尽研究。结论部分提到了与其他自旋模型,特别是自旋玻璃的联系。

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