人类和大鼠/小鼠血红素-1分子构象行为的计算机模拟

2014 IEEE 8th International Conference on Application of Information and Communication Technologies (AICT) Pub Date : 2014-10-01 DOI:10.1109/ICAICT.2014.7035993

U. Agaeva, G. Agaeva, N. Godjaev

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引用次数: 0

摘要

利用计算机建模方法研究了具有生物活性的人和小鼠/大鼠血红素-1肽分子的构象特性。结果表明，这两种分子都能以几种稳定的构象状态存在。得到了分子每一种低能构象的能量和几何参数。揭示了两种分子的构象刚性段和不稳定段。

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Computer simulation of conformational behaviour of human and rat/mouse hemokinin-1 molecules

The conformational properties of biologically active human and mouse/rat hemokinin-1 peptide molecules have been investigated by computer modeling methods. It is showed that both molecule can exist in several stable conformational states. The energy and geometrical parameters for each of low-energy conformations of molecules are obtained. The conformationally rigid and labile segments of both molecules were revealed.

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2014 IEEE 8th International Conference on Application of Information and Communication Technologies (AICT)

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