Department of Chemistry, University of Cambridge, Lensfield Road, CB2 1EW Cambridge, United Kingdom.
J Chem Phys. 2013 Jan 14;138(2):021102. doi: 10.1063/1.4775806.
Recently [P. Varilly, S. Angioletti-Uberti, B. M. Mognetti, and D. Frenkel, "A general theory of DNA-mediated and other valence-limited colloidal interactions," J. Chem. Phys. 137, 094108 (2012)], we presented a general theory for calculating the strength and properties of colloidal interactions mediated by ligand-receptor bonds (such as those that bind DNA-coated colloids). In this Communication, we derive a surprisingly simple analytical form for the interaction free energy, which was previously obtainable only via a costly numerical thermodynamic integration. As a result, the computational effort to obtain potentials of interaction is significantly reduced. Moreover, we can gain insight from this analytic expression for the free energy in limiting cases. In particular, the connection of our general theory to other previous specialised approaches is now made transparent. This important simplification will significantly broaden the scope of our theory.
最近，[P. Varilly、S. Angioletti-Uberti、B. M. Mognetti 和 D. Frenkel，“基于 DNA 介导和其他价态限制胶体相互作用的通用理论”，J. Chem. Phys. 137, 094108 (2012)]，我们提出了一种计算配体-受体键（如结合 DNA 包裹胶体的键）介导的胶体相互作用强度和特性的通用理论。在本通讯中，我们推导出了一个令人惊讶的简单的相互作用自由能解析形式，这以前只能通过昂贵的数值热力学积分来获得。因此，获得相互作用势的计算工作量大大减少。此外，我们可以从自由能的这个解析表达式中获得极限情况下的见解。特别是，我们的一般理论与其他以前的专门方法的联系现在变得清晰了。这种重要的简化将大大拓宽我们理论的范围。
