冷变性的微观机理
Microscopic mechanism for cold denaturation
摘要：
我们阐明了冷变性的机制，通过恒压模拟模型的疏水分子在明确的溶剂。我们发现，疏水效应的温度依赖性是驱动力/诱导/促进冷变性。这种现象的物理机制被确定为有利于溶剂分离的配置，在压力诱导的变性中看到相同的机制，疏水接触的不稳定。一个现象学的解释提出的机制，建议负责在真正的蛋白质冷变性。
英文摘要：
We elucidate the mechanism of cold denaturation through constant-pressure simulations for a model of hydrophobic molecules in an explicit solvent. We find that the temperature dependence of the hydrophobic effect is the driving force/induces/facilitates cold denaturation. The physical mechanism underlying this phenomenon is identified as the destabilization of hydrophobic contact in favor of solvent separated configurations, the same mechanism seen in pressure induced denaturation. A phenomenological explanation proposed for the mechanism is suggested as being responsible for cold denaturation in real proteins.
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