活性构象

在他们的结构研究中，这些科学家已经发现，在他们制备的蛋白质晶体中，只存在活性构象的EGFR。

In their structural studies , those scientists had found only the active conformation of EGFR in their protein crystals .

文章利用限制性构象搜寻（ConstraintsSearch），确定了血管紧张素转化酶（ACE）抑制剂的药效团模型（活性构象或重叠规则）。

Pharmacophore map ( active conformation or alignment rules ) for inhibitors of angiotensin converting enzyme ( ACE ) were defined by Constraints Search .

化合物的活性构象是通过一系列他克林二联体化合物与AChE晶体结构进行对接而获得的，以此进行建模分析，建立结构与活性之间的三维定量构效关系。

Bioactive conformations were generated by docking a series of Tacrine Dimers Analogs with AChE crystal structure.3D quantitative structure activity relationship ( 3D-QSAR ) models were developed for AChE inhibitors using modeling analysis .

本研究利用限制性系统搜索，确定了活性构象，并用比较分子场方法（COMFA）研究了24个化合物的三维定量构效关系，建立了具有较强预测能力的3D-QSAR模型。

The active conformation is conformed by using systematic search , and the 3D QSAR of 24 kinds of compounds is studied with the method of COMFA . The model of 3D QSAR is found to give suggestion for designing new compound .

结果显示以对接为基础的活性构象选择策略运用到（V600）EBRAF抑制剂的QSAR研究中是合理的和有效的。

The results from this work demonstrate that the molecular docking-guided active conformation selection strategy is rational and useful in the QSAR study of these ( V600 ) EBRAF inhibitors and for the quantitative prediction of their IC50 values .

双环β－内酰胺抗生素分子活性构象的理论研究

Theoretical Studies on the Active Conformation for Double-Ring β - Lactam Antibioties

土壤酶一般以固定的形态存在于土壤中，污染物作用下酶的活性构象变化机理研究显得尤为困难。

A majority of enzymes exist in soil in form of immobile enzymes .

同时采用量子化学的方法对活性构象模板分子电子结构作了讨论。

In the paper the electronic structures of the template molecules are discussed through quantum chemistry calculation .

从三维角度出发，采取不同的构象搜索方法得到了咪唑啉酮类化合物分子的活性构象。

An active conformer of the imidazolinone compounds has been obtained by adopting different conformational search methods .

重点介绍环氧化物水解酶的结构特点和催化特性，即核心结构和帽子结构两个功能性结构及三位一体的催化活性构象。

The characteristic of epoxide hydrolase structure and its catalysis performance were described emphatically , i.e. two functional structures : core structure and cap structure , and trinitarian catalytical activity conformation .

计算结果表明，在3种不同的溶剂中，单嘧磺隆的优势构象不同；其构象转换过程，特别是转换成活性构象的过程主要发生在水溶液中；

The simulation results indicate that dominative conformations were different in different solvents , and the conformational conversion , especially converting to an active conformation , was mainly occurs in the aqueous solution in the plant .

但传统的比较分子场分析方法在具体的实现过程中还存在着一些缺陷和不足，包括分子场势能函数的选择，活性构象的确定，分子的叠合以及分子场变量的选取等等。

But the conventional CoMFA exists some defects , including the selection of potential function of molecular field , the determination of bioactive conformers , the molecular alignment and the selection of variable of molecular fields , etc.

以距离比较法所获得的顺式氰基丙烯酸酯化合物的活性构象为模板，对39个该类化合物采用比较分子场方法进行了三维构效关系的研究。

3D - QSAR studies were conducted to 39 ( Z ) - cyanoacrylate compounds by using Comparative Molecular Field Analysis ( CoMFA ) with five active conformations from Distance Comparisons method of ( Z ) - cyanoacrylate compounds as templates .

在这个工作中先进行了分子对接，得到各个化合物生物活性构象，并且通过分析对接过程中得到的各种能量，得到了药物与蛋白之间的作用模式。

By means of molecular docking , we got the bioactive conformations of all compounds . We also could get the mode of interaction between the drugs and the protein via analysis of the energy which were produced in docking process .

高压脉冲电场对HRP活性及其构象的影响和分子模拟其构象改变的研究

Effects of High Pulsed Electric Field on the Activity and Conformation of Horseradish Peroxidase and Studies on the Conformation Changes by Computer Molecular Imitate Technique

波尔多液对土壤过氧化氢酶活性与构象的影响

Effects of Bordeaux Mixture on Soil Catalase Activity and Conformation Characteristics

脉冲电场对果胶酯酶的活性及构象的影响

Inactivation and conformational change of pectinesterase induced by pulsed electric fields

水-乙醇混合溶剂中过氧化氢酶活性与构象的研究

Activity and Conformation of Catalase in Water - Ethanol Mixtures

天冬氨酸酶在盐酸胍变性时的酶活性与构象变化

The Conformational Changes of Aspartase in Guanidine Hydrochloride Denaturation

磁场对纤维素酶的活性及构象的影响

Effect of Magnetic Field on Cellulase Activity and Conformation

几种金属离子对麦芽酸性磷酸酶活性及构象的影响

Effect of metal ions on activity and conformation of acid phosphatase from wheat germ

动态高压微射流技术对酶的活性与构象变化的影响

The Influence of Dynamic High Pressure Microfluidization on Activation and Conformational Changes of Enzyme

高压脉冲电场对辣根过氧化物酶活性及构象的影响效果

Efficiency of High Pulsed Electric Field on the Activity and Conformation of Horseradish Peroxidase

大熊猫肌酸激酶热变性中活性与构象变化的比较

A Comparison of Rates of Inactivation and Conformational Changes of Panda Creatine Kinase during Thermal Denaturation

上述结果进一步支持了酶的活性部位构象柔性的观点。

Above results further support the suggestion of the location of the active site of the enzyme in limited and flexible molecular region .

用微量热法和荧光法分别测定了水-乙醇混合溶剂中过氧化氢酶活性与构象的变化。

The activity and conformation changes of catalase in water - ethanol mixtures were measured at 298.15K by means of microcalorimetry and fluorescence spectroscopy .

在化学全合成、生物发酵、生物的合成改造、活性与构象关系的推导、基因簇异源表达等方面取得了卓越的成就。

Great progresses have been made in total chemical synthesis , biological fermentation , biosynthesis and derivation , relation between activity and conformation and heterologous expression of the gene clusters .

本实验旨在研究高压脉冲电场（PEF）对辣根过氧化物酶（HRP）的活性及酶构象的影响效果。

Efficiency of high pulsed electric field ( PEF ) on the activity and conformational of horseradish peroxidase ( HRP ) were studied in this paper .

抗血栓四肽KRDS的合成、活性鉴定与构象研究

Antithrombotic Effects and the Conformation Determination of KRDS , a Synthetic Peptide

蛋白折叠就是蛋白分子从它的变性状态到达其具有生物活性的天然构象的过程。

Protein folding is the process that a protein transforms from the denatured state to its specific biologically active conformation .