构象的

From the view of thermodynamics, native complex is the structure with the lowest binding free energy.

通常热力学上认为生物分子的稳定构象是自由能最低的构象，因此，分子对接的目的就是找到能量最低的构象。

From the view of thermodynamics, native complexis the structure with the lowest binding free energy.

通常热力学上认为生物分子的稳定构象是自由能最低的构象，因此，分子对接的目的就是找到能量最低的构象。

To understand how the crystal conformer converts to the active conformer, here the internal rotation potential energy surface around the two C—N bonds in the sulfonylurea bridge of monosulfuron has been studied by density functional B3LYP method and 6-31G basis set.

应用密度泛函理论在B3LYP/6-31G水平上对新型除草剂单嘧磺隆绕脲桥部分两个C—N键的内旋转势能面进行计算，然后对势能面上的驻点进行构型优化和过渡态搜索，得到单嘧磺隆4种稳定构象和构象转换过程所涉及的8个过渡态结构。

Generally, B in the configuration closest cell's DNA conformation, it and the double helix model are similar. A-DNA and when RNA member double helix area as well as duplication forms the DNA-RNA hybrid molecule conformation is close. Z-DNA take the nucleotide dimer as the unit left-hand winding, its principal chain assumes the denticle the shape, therefore.

一般认为，B构型最接近细胞中的DNA构象，它与双螺旋模型非常相似。A－DNA与RNA分子中的双螺旋区以及转录时形成的DNA－RNA杂交分子构象接近。Z－DNA以核苷酸二聚体为单元左向缠绕，其主链呈锯齿形，故名。

On the basis of the kinetic equation of substrate reaction in the presence of urea or guanidine hydrochloride, all microscopic kinetic constants for the free enzyme and enzyme-substrate binary and ternary complexes have been determined. The results of the present studies indicate that:①In the presence of urea or guanidine hydrochloride, enzyme-substrate complexes lose their activity less rapidly than the free enzyme. Therefore, both substrates, NADPH and 7, 8-dihydrofolate, protect dihydrofolate reductase against inactivation.②The denaturation of dihydrofolate reductase by urea follows single-phase kinetics, and changes in enzyme activity and tertiary structure proceed simultaneously in the unfolding process, so it may be an"all or none"process.③The GdnHCl-induced unfolding of the dihydrofolate shows a biphasic transition, while the change in the enzyme activity is a single exponential process. The rate constant of inactivation is consistent with that of the fast conformational change. Therefore, the kinetic intermediate of protein unfolding should be a partially folded and inactive form.

我们根据在脲或盐酸胍存在下的底物反应动力学方程求得游离酶和酶底物二元、三元复合物的微观动力学常数，结果表明：①酶-底物二元、三元复合物的失活速度明显慢于游离酶，说明两个底物二氢叶酸和NADPH对酶的失活都具有一定程度的保护作用；②在脲作用下，酶的失活和构象变化均为单指数项过程，而且酶的活力丧失和三级结构变化是同时发生的，说明二氢叶酸还原酶的脲变性可能是一个"全或无"的两态过程；③在盐酸胍作用下，酶的构象变化为两相过程，而失活则是单指数项过程，酶分子构象变化的快相速度常数与失活速度常数基本一致，因此我们认为二氢叶酸还原酶的盐酸胍变性过程中存在一个没有活力、但仍具备一定空间结构的变性中间体。

The present calculations predict that thioacetic acid mainly exists as a CH3CSH tautomer, and both tautomers predominately adopt syn conformations, which reproduces the experimental observations.

本文计算预测硫代乙酸主要以CH3CSH的形式存在，两种异构体均以顺式构象为优势构象。

Based on the results of this report and the results of literature reports on the preferred conformation of enantiomeric 3-substituted-1, 4-benzodiazepines, a nucleophilically solvated C3 carbonium ion intermediate resulting from either a P or a M conformation is proposed to be an intermediate.

基於本文所报导的结果及文献所记述之对映异构性在C3位有取代基时的1，4-苯并二氮类的倾向构象，设想提出所观察之现象是由正或负构象所致的一个亲核性经溶剂化的C3阳碳离子为中间体。

When a strong electron-withdrawing group (e.g., nitrobenzene group) is located on the position 3, the twisted configuration between pyrazoline ring and the substituted phenyl group on the position 3 is the fluorescence emission configuration of this kind of 2-pyrazolines, and the planar configuration between two moieties is also the best non-radiative decay configuration of these compounds.

对于C3位取代基为强的拉电子基团的化合物，C3位取代基与吡唑啉环相扭曲的构象是化合物分子的发光构象，而两者处于同一平面的构象是化合物的最佳非辐射衰变构象，与N1所联取代基的旋转扭曲无关。

It can be proposed that when the substituent is an electron donor, the twisted configuration between pyrazoline ring and the moiety attached on N1 is the fluorescence-emitted configuration of 2-pyrazoline, and the configuration where two moieties are placed in a co-plane is the best non-radiative decay configuration of these compounds.

这表明，对于C3位取代基为推电子基或弱的拉电子基团的化合物，N1所联取代基与吡唑啉环相扭曲的构象是化合物的发光构象，两者处于同一平面的构象是化合物的最佳非辐射衰变构象，与C3所联取代基的旋转扭曲无关。

From the photophysical behaviors of 1, 3, 4-triaryl-2pyrazoline compound (TPP16) at low temperature, it can be considered that the twisted configuration between pyrazoline ring and the non-substituted phenyl group on the position 1 is the fluorescence configuration of conjugated system Ⅰ, and the twisted configuration between pyrazoline ring and P-nitrobenzene group is fluorescence configuration of conjugated system Ⅱ.

研究了1，3，4-三芳基-2-吡唑啉化合物TPP16在低温时的发光情况，发现：在低温77K下，共轭体系Ⅰ(苯基-N1-N2＝C3-苯基)在非极性溶剂中不发荧光，在极性溶剂中有较强荧光发射；而共轭体系Ⅱ(N1-N2＝C3-C4＝对硝基苄叉)在非极性溶剂或极性溶剂中均有荧光发射，表明N1所联取代基与吡唑啉环相扭曲的构象是共轭体系Ⅰ的发光构象，而对硝基苄叉与吡唑啉环相扭曲的构象是共轭体系Ⅱ的发光构象。

Finally, according to market conditions and market products this article paper analyzes the trends in the development of camera technology, and designs a color night vision camera.

最后根据市场情况和市面上产品的情况分析了摄像机技术的发展趋势，并设计了一款彩色夜视摄像机。

Only person height weeds and the fierce looks stone idles were there.

只有半人深的荒草和龇牙咧嘴的神像。