Proteins at Air-Water Interfaces: A Coarse-Grained Model

作者：Cieplak Marek^*; Allan Daniel B; Leheny Robert L; Reich Daniel H

来源：Langmuir, 2014, 30(43): 12888-12896.

DOI：10.1021/la502465m

We present a coarse-grained model to describe the adsorption and deformation of proteins at an air-water interface. The interface is introduced empirically in the form of a localized field that couples to a hydropathy scale of amino acids. We consider three kinds of proteins: protein G, egg-white lysozyme, and hydrophobin. We characterize the nature of the deformation and the orientation of the proteins induced by their proximity to and association with the interface. We also study protein diffusion in the layer formed at the interface and show that the diffusion slows with increasing concentration in a manner similar to that for a colloidal suspension approaching the glass transition.

• 出版日期2014-11-4