Origins of barriers and barrierless folding in BBL
Origins of barriers and barrierless folding in BBL
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DOI：
10.1073/pnas.0709376104
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发表时间：
2008-01-08
影响因子：
11.1
通讯作者：
Wolynes, Peter G.
中科院分区：
文献类型：
--
作者：
Cho, Samuel S.;Weinkam, Patrick;Wolynes, Peter G.
与经典的化学现象学相反，理论表明，蛋白质在某些热力学条件下可以在没有激活屏障的情况下进行下坡折叠。最近，BBL蛋白被提出通过这样的下坡方案折叠，但是在不同小组中发现的实验结果之间的差异反对这一点。在简要回顾了BBL折叠机制的主要实验研究后，我们表明粗粒度和原子模型的模拟可以调和看似矛盾的观察结果。
In contrast to classical chemical phenomenology, theory suggests that proteins may undergo downhill folding without an activation barrier under certain thermodynamic conditions. Recently, the BBL protein was proposed to fold by such a downhill scenario, but discrepancies between experimental results found in different groups argue against this. After briefly reviewing the major experimental studies of the BBL folding mechanism, we show that simulations of both coarse-grained and atomistic models can reconcile the seemingly conflicting observations.