查询词典 conformer

A conformer is a 3 dimensional configuration of a particular candidate structure.

"确定者"是指一个特定"候选者"结构的3维配置。

SSCP was detected in exon 6 and exon9p of the gene, but not in the other exons.Results In polyacrylamide gel electrophoresis, We have not found abnormal conformer in both affected individuals and control cases. There were no differences in the DNA sequence between these two groups.

结果 在非变性聚丙烯酰氨凝胶电泳中，未发现DCM组和对照组该基因的外显子6和外显子9p出现异常构象，通过DNA测序证实两组的核苷酸序列没有差异。

Then, have explored the conformer interconversion among all glycine conformers, and discussed some arguments about glycine conformers' symmetries.

研究所有的苷氨酸构象异构体之间相互转换，并且探讨了苷氨酸构象异构体的对称性问题。

It has been known that these diseases result from the conformational transition of a host-encoded prion protein to a β-sheet-rich conformer.

普昂疾病是一种传染性海绵样脑病变，此病是由内生的普昂蛋白发生构形变异、形成富含β结构的构形而造成。

In chapter 3, we systematically explore the conformational potential energy surfaces of aspartic acid in gas phase and calculate the concerned properties including geometry structure, IR spectra, conformer distributions, ionization energies and electron affinities.

在第三章中我们对天冬氨酸气相中的构型势能面进行了系统的探测，并研究了其相关性质，如几何结构、红外光谱、构型分布、电离能和电子亲合能。

In chapter 2,the main research contents and typical works in theoretical research area on amino acids and oligopeptides were introduced.This includes studies performed on structures,electronic properties,weak intramolecular interactions,protonation and deprotonation,conformer conversion,metal ion binding,solution effects and etc.

第2章给出了氨基酸和寡肽分子体系理论计算领域的主要研究内容和研究热点，这包括氨基酸和寡肽分子的稳定结构，电子性质，内部弱相互作用，质子化和去质子化过程，构象转换，金属离子结合及溶液效应等多方面的研究。

With the application of Partial Least Square technique and the input need of only 2-D molecular structure, it overcomes the difficulty of conformer alignment for 3D-QSAR techniques and avoids the multiple collinearity for traditional Multiple Linear Regression.

本文应用基于分子全息的QSAR技术研究了联苯以及209种氯代同系物的水溶解度、正辛醇水分配系数、总分子表面积、水活度系数和亨利常数等5种与生物累积性有关的理化性质以及气相色谱相对保留时间，建立了一批具有高度预测性的QSAR模型。

The interactions among the three active sites---N3, 04 and 05 in the most stable conformer of glycine and the three mono-value cations--~ Li~ and Na~ are investigated at the R0B3P86/6-3 1 G* level. Their relative binding strength and the binding order are compared and analyzed when the same active site reacts with three different cations or the same cation reacts with three different active sites, respectively.

利用限制性的DFT方法和6-31G基组函数，考察了甘氨酸的最稳定构象中的三个活性位：N3、O4和O5与单价阳离子H~+、Li~+和Na~+相互作用的情况，比较分析了三活性位与同一阳离子相互作用时的相对强弱和同一活性位与三个不同阳离子作用时的成键顺序。

The structures and properties of nine derivatives, which are formed between two or three cations and the three active sites of the most stable glycine conformer, have been probed; And the binding strength between the different active sites of glycine and different cations have been compared in BSSE method.33. The activation parameters, coupling matrix element and so forth of Fe4+Gly system have been investigated with the hereto-exchange model and calculation scheme for weak coupling system.

鉴于一个甘氨酸分子就具备三个活性位和人体中大量阳离子的存在，在上述考察了甘氨酸分子的某一活性位结合了一阳离子之后，进一步探讨了其余两个活性位再与一个甚至两个阳离子继续作用所形成的九种衍生物的结构和性质。

By employ those techniques,the energy thresholds for conformational isomerization in a given reactant-product conformer pair(e.g.tryptamine) are directly determined.

文中还简要介绍了一种新的应用于构象异构动力学研究的光谱方法，即激励辐射泵浦-注孔和激励辐射泵浦-布居转移。

On the other hand, the more important thing is because the urban housing is a kind of heterogeneity products.

另一方面，更重要的是由于城市住房是一种异质性产品。

Climate histogram is the fall that collects place measure calm value, cent serves as cross axle for a few equal interval, the area that the frequency that the value appears according to place is accumulated and becomes will be determined inside each interval, discharge the graph that rise with post, also be called histogram.

气候直方图是将所收集的降水量测定值，分为几个相等的区间作为横轴，并将各区间内所测定值依所出现的次数累积而成的面积，用柱子排起来的图形，也叫做柱状图。