人血红素-1首选构象的计算机测定

U. Agaeva, G. Agaeva, N. Godjaev
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摘要

利用计算机模拟方法研究了具有生物活性的血红素-1肽分子的构象特性。结果表明,该分子可以存在多种稳定的构象状态。得到了每一种低能构象的能量和几何参数。揭示了该分子的构象刚性段和不稳定段。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Computer determination of preferred conformations of human hemokinin-1
The conformational properties of biologically active hemokinin-1 peptide molecule have been investigated by computer modeling methods. It is showed that this molecule can exist in several stable conformational states. The energy and geometrical parameters for each of low-energy conformations are obtained. The conformationally rigid and labile segments of this molecule were revealed.
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