Models of macromolecular crowding effects and the need for quantitative comparisons with experiment.

Models of macromolecular crowding effects and the need for quantitative comparisons with experiment.
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DOI:
10.1016/j.sbi.2010.01.008
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发表时间:
2010-04
影响因子:
6.8
通讯作者:
Elcock AH
Elcock AH
中科院分区:
生物学2区
文献类型:
--
作者:
Elcock AH

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近年来,大分子拥挤对蛋白质折叠和缔合现象的潜在影响一直是研究的重点。特别是,理论计算和分子模拟已被用来描述拥挤和受限条件下蛋白质行为的各个方面,并且模拟行为的许多方面至少在定性水平上反映了实验中观察到的行为。对理论家来说,一个主要的和直接的挑战是现在产生能够对体外行为进行定量准确预测的模型。第二个挑战是推导出解释体内实验结果的模型,这些结果似乎对体内排除体积效应的假定主导地位提出了质疑。
In recent years significant effort has been devoted to exploring the potential effects of macromolecular crowding on protein folding and association phenomena. Theoretical calculations and molecular simulations have, in particular, been exploited to describe aspects of protein behavior in crowded and confined conditions and many aspects of the simulated behavior have reflected, at least at a qualitative level, the behavior observed in experiments. One major and immediate challenge for the theorists is to now produce models capable of making quantitatively accurate predictions of in vitro behavior. A second challenge is to derive models that explain results obtained from experiments performed in vivo, the results of which appear to call into question the assumed dominance of excluded volume effects in vivo.
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