We have performed fully atomistic molecular dynamics simulations of the intracellular domain of a model of the GABA_A receptor with and without the GABA receptor associated protein (GABARAP) bound. We have also calculated the electrostatic potential due to the receptor, in the absence and presence of GABARAP. We find that GABARAP binding changes the electrostatic properties around the GABA_A receptor and could lead to increased conductivity of chloride ions through the receptor. We also find that ion motions that would result in conducting currents are observed nearly twice as often when GABARAP binds. These results are consistent with data from electrophysiological experiments.

中文翻译：

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GABA 受体相关蛋白改变 GABA A 型受体周围的静电环境

_{我们已经对 GABA A}受体模型的细胞内结构域进行了完全原子分子动力学模拟，有和没有 GABA 受体相关蛋白 (GABARAP) 结合。我们还计算了在 GABARAP 不存在和存在的情况下由受体引起的静电势。我们发现 GABARAP 结合改变了 GABA _A受体周围的静电特性，并可能导致氯离子通过受体的电导率增加。我们还发现，当 GABARAP 结合时，会导致传导电流的离子运动的观察频率几乎是其两倍。这些结果与电生理实验的数据一致。