Gus'kova O A, Khalatur P G, Khokhlov A R, Chinarev A A, Tsygankova S V, Bovin N V
Bioorg Khim. 2010 Sep-Oct;36(5):622-9.
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.
描述了二天线状低聚甘氨酸[H-Gly4-NH(CH2)5]2在石墨和云母表面吸附模式的全原子分子动力学（MD）模拟。分析了所得吸附层的结构。通过STRIDE（结构识别）和DSSP（蛋白质二级结构词典）方法研究了肽的二级结构基序。所得结果证实了沉积在石墨表面的二天线状低聚甘氨酸（DAOG）单层中形成聚甘氨酸II（PGII）结构的可能性，这一可能性此前是基于原子力显微镜测量估计的。
