Study on Hydrophobic Stability and Water dynamics around Hydrophobic Core in Near Folding trajectory

来源 :第二届全国“跨学科蛋白质研究”学术讨论会 | 被引量 : 0次 | 上传用户:cdronglin
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  Hydrophobic effect is the dominate force in protein folding.In 40 simulations around Trp-cage protein, we found that the water dynamic behavior companying with the protein folding events around the hydrophobic core.In as small as Trp-cage hydrophobic core, there may be also have drying-effect.Changes on protein configuration may induce big water density fluctuation and water dynamic effect back on stability of hydrophobic core in Trp-cage.There are particular long resident time and long life hydrogen bond between water and protein atoms.Their tight relevance shows that protein configurations have big effect on water dynamics behavior.It will be possible to consider water dynamic effect from protein configuration in a new implicit model.
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