Communication: A simple analytical formula for the free energy of ligand-receptor-mediated interactions
Communication: A simple analytical formula for the free energy of ligand-receptor-mediated interactions
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DOI：
10.1063/1.4775806
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发表时间：
2013-01-14
影响因子：
4.4
通讯作者：
Frenkel, Daan
中科院分区：
文献类型：
--
作者：
Angioletti-Uberti, Stefano;Varilly, Patrick;Frenkel, Daan
最近[P. Varilly，S.安焦莱蒂-乌贝蒂，B。M. Mognetti和D. Frenkel，“A general theory of DNA-mediated and other valence-limited colloidal interactions，”J.Chem.Phys.137，094108（2012）]，我们提出了用于计算由配体-受体键（例如结合DNA包被的胶体的那些）介导的胶体相互作用的强度和性质的一般理论。在这篇通讯中，我们得到了一个令人惊讶的简单的相互作用自由能的分析形式，这是以前只能通过昂贵的数值热力学积分。结果，获得相互作用势的计算工作量显著减少。此外，我们还可以从极限情况下的自由能的解析表达式中得到一些启示。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透明了。这一重要的简化将大大拓宽我们理论的范围。(C)2013年美国物理学会。[http：//dx.doi.org/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. (C) 2013 American Institute of Physics. [http://dx.doi.org/10.1063/1.4775806]