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tuwenwuguan

新虫 (正式写手)

[求助] 帮忙看看审稿意见:有关分子动力学模拟解释蛋白与底物相互作用

文章要求修改。分子模拟方面,我对分子模拟也不咋了解,投稿时也是想用MD作为辅助,结果被揪出来。请虾们帮忙看看这两个问题。
一个审稿意见如下:
The authors describe the role of Glu as an amino acid that "drags" the substrate.  this result is based upon MD simulations which occur on a nanosecond time scale. However, the catalytic activity of this enzyme is likely on the millisecond to second time scale. The authors need to provide better explanations (or provide explicit assumptions) to take into account the differences in time scale.
大概意思:MD是在纳秒范围内做,但审稿认为蛋白活性可能发生在毫秒到秒的范围,需要解释。---------看到一些文献都是在ns范围内做的嘛,但怎么解释审稿的疑问呢?
Secondly, the term "drag" implies that this movement requires energy. The authors should indicate the amount of energy that is required to achieve such movement, and also indicate if this energy expenditure is compensated for by the formation of other enthlapic or entropic interactions. Finally, the term "drag" or "dragging" should be replaced with some other term like "movement" or "repulsion".  Again, "dragging" infers that the amino acid is in physical contact with the ribonucleotide, which it is not.
大概意思:drag这个动作需要能量,要计算出这个动作需要的能量是多少,并且是否需要其他能量来补充--------能量分析实在不懂,这咋计算?又咋看出是否其他能量补充?
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alwens

铁杆木虫 (正式写手)

老木虫

两个都是好问题
万里夕阳锦背高 翻身犹恨东洋小 太公怎钓?
2楼2012-02-22 08:53:20
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wshzxcc

金虫 (小有名气)

【答案】应助回帖

感谢参与,应助指数 +1
我也是在研究第二个问题,看看能量的变化
自学成才
3楼2012-02-22 10:11:24
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tuwenwuguan

新虫 (正式写手)

晕,咋没人帮忙回答一下
4楼2012-02-22 21:01:16
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