天然构象 meaning in Chinese
native conformation
Examples
- The main goal of a scoring function is to distinguish between the near - native structures and a large number of incorrect ones within a reasonable time
使用打分函数的目的，是在合理的时间内对结构作出有效评价，以区分出近天然构象。 - In this method , we compared the effect on discriminating near - native structures of different scoring functions , energy minimization ( em ) and molecule dynamics ( md )
比较了不同的能量打分函数、能量优化( em )以及分子动力学( md )模拟方法对区分近天然构象的作用。 - Additionally , a search procedure may produce millions of docked structures . how to drastically eliminate the incorrect structures and retain the near - native ones as many as possible before scoring them with a refined energy function is a serious challenge topic of current researches
另外，搜索过程可能产生数百万的对接构象，在用精细的能量函数打分之前，如何对这些结构进行初步筛选以得到尽可能多的近天然构象是目前方法研究中极具挑战性的问题。 - Generally , the protein - protein docking procedure is composed of four stages : searching of the binding modes of the receptor and the ligand , filtering of docked modes to eliminate the irrational docked structures , optimizing the structures , evaluating the docked modes with the refined scoring function and ranking them to obtain the near - native structures
通常，蛋白质蛋白质分子对接包括四个阶段：搜索受体与配体分子间的结合模式，过滤对接结构以排除不合理的结合模式，优化结构，用精细的打分函数评价、排序对接模式并挑选近天然构象。 - There are two important factors in the docking problem . one is an efficient search algorithm , which can explore the relevant conformational space , and the other is a good scoring function , which should be both reliable and efficient to discriminate between native and non - native solutions within a reasonable time
分子对接包含两个方面，一是快速有效的搜索算法，可以在可能的空间进行构象搜索；另一个是好的打分函数，能够在合理的时间内正确有效地从搜索到的结构中区分出近天然构象。