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tuwenwuguan新蟲(chóng) (正式寫(xiě)手)
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[求助]
幫忙看看審稿意見(jiàn):有關(guān)分子動(dòng)力學(xué)模擬解釋蛋白與底物相互作用
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文章要求修改。分子模擬方面,我對(duì)分子模擬也不咋了解,投稿時(shí)也是想用MD作為輔助,結(jié)果被揪出來(lái)。請(qǐng)蝦們幫忙看看這兩個(gè)問(wèn)題。 一個(gè)審稿意見(jiàn)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是在納秒范圍內(nèi)做,但審稿認(rèn)為蛋白活性可能發(fā)生在毫秒到秒的范圍,需要解釋。---------看到一些文獻(xiàn)都是在ns范圍內(nèi)做的嘛,但怎么解釋審稿的疑問(wèn)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這個(gè)動(dòng)作需要能量,要計(jì)算出這個(gè)動(dòng)作需要的能量是多少,并且是否需要其他能量來(lái)補(bǔ)充--------能量分析實(shí)在不懂,這咋計(jì)算?又咋看出是否其他能量補(bǔ)充? |
金蟲(chóng) (小有名氣)

新蟲(chóng) (正式寫(xiě)手)
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