Electronic structure of bacterial surface protein layers
Electronic structure of bacterial surface protein layers
复制标题
细菌表面蛋白层的电子结构
DOI：
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发表时间：
2008
期刊：
影响因子：
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通讯作者：
S. Molodtsov
中科院分区：
文献类型：
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作者：
V. Maslyuk;I. Mertig;T. Bredow;M. Mertig;D. Vyalikh;S. Molodtsov
我们报告了一种方法用于计算的干燥的二维晶体表面蛋白质层（S层）的细菌球形芽孢杆菌NCTC 9602的电子态密度。所提出的模型是基于考虑单个氨基酸在相应的构象的肽链，其中添加有助于整个蛋白质复合物的电子结构。导出的结果与通过光电发射（PE），共振PE，和近边X射线吸收光谱得到的实验数据吻合得很好。
We report an approach for the calculation of the electronic density of states of the dried two-dimensional crystalline surface protein layer (S layer) of the bacterium Bacillus sphaericus NCTC 9602. The proposed model is based on the consideration of individual amino acids in the corresponding conformation of the peptide chain which additively contribute to the electronic structure of the entire protein complex. The derived results agree well with the experimental data obtained by means of photoemission (PE), resonant PE, and near-edge x-ray absorption spectroscopy.