Zhu Fangqiang, Tajkhorshid Emad, Schulten Klaus
Theoretical and Computational Biophysics Group, Beckman Institute, University of Illinois at Urbana-Champaign, 405 N. Mathews, Urbana, Illinois 61801, USA.
Phys Rev Lett. 2004 Nov 26;93(22):224501. doi: 10.1103/PhysRevLett.93.224501. Epub 2004 Nov 24.
Water permeation through nanometric channels, generally a coupled many-body process, is described in this study by a single collective coordinate. A collective diffusion model is proposed in which water movement at equilibrium is characterized as an unbiased diffusion along this coordinate and water transport in the presence of a chemical potential difference is described as one-dimensional diffusion in a linear potential. The model allows one to determine the osmotic permeability of a water channel from equilibrium simulations.
水通过纳米通道的渗透通常是一个耦合的多体过程，本研究通过单一集体坐标对其进行描述。提出了一种集体扩散模型，其中平衡状态下水的运动被表征为沿该坐标的无偏扩散，而在存在化学势差的情况下水的传输被描述为在线性势中的一维扩散。该模型允许人们从平衡模拟中确定水通道的渗透渗透率。
