O A Gus'kova, P G Khalatur, A R Khokhlov, A A Chinarev, S V Tsygankova, N V Bovin
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引用次数: 0
摘要
采用全原子分子动力学方法模拟了双侧低聚甘氨酸[H-Gly4-NH(CH2)5]2在石墨和云母表面的吸附模式。分析了所得吸附层的结构。用STRIDE (structure identification)和DSSP (dictionary of secondary structure of proteins)两种方法对肽的二级结构动机进行了研究。所得结果证实了在石墨表面沉积的双天线低聚甘氨酸(DAOG)单层中形成聚甘氨酸II (PGII)结构的可能性，这是先前基于原子力显微镜测量估计的。
The full-atomic molecular dynamics (MD) simulation of adsorption mode for diantennary oligoglycines [H-Gly4-NH(CH2)5]2 onto graphite and mica surface is described. The resulting structure of adsorption layers is analyzed. The peptide second structure motives have been studied by both STRIDE (structural identification) and DSSP (dictionary of secondary structure of proteins) methods. The obtained results confirm the possibility of polyglycine II (PGII) structure formation in diantennary oligoglycine (DAOG) monolayers deposited onto graphite surface, which was earlier estimated based on atomic-force microscopy measurements.
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