查询词典 binding energy

Moreover, we have successfully applied this model to predict the relative binding free energies for four binding modes of EGFR/quinazoline. The most favorable binding mode identified by MM/PBSA could also be correctly recognized by MM/SAWSA.

我们把SAWSA替代PBSA计算用于结合自由能的计算，结果表明在计算效率大大提高的情况下，MM／SAWSA计算能得到和MM／PBSA计算可比的结果。

From the calculations, it can be found that the van der Waals interactions, the hydrophobic interactions, as well as the H-bonding interactions are crucial for the ligand binding. The 4-phenylamino group can produce strong van der Waals adn hydrophobic interactions with the nonpolar side chains of the residues deep in the binding cleft. The R^1 and R^2 substituents on the bicyclic chromophore can also produce strong van der Waals and hydrophobic interactions with the residues located at the exterior part of the binding pocket. Moreover, the two N atoms of the quinazoline can form H-bonds with EGFR, which will produce significant contribution to biological activities. The calculated nonbonded interactions between anilinoquinazolines and EGFR, as well as the information obtained from the predicted complexes, can interpret the structure-activities of the inhibitors well, which can afford us important information for structure-based drug design.

从模拟结果得到的抑制剂和靶酶之间的相互作用模式表明范德华相互作用、疏水相互作用以及氢键相互作用对抑制剂的活性都有重要的影响，抑制剂的苯胺部分位于活性口袋的底部，能够与受体残基的非极性侧链产生很强的范德华和疏水相互作用，抑制剂双环上的取代基团也能和活性口袋外部的部分残基形成一定的范德华和疏水性相互作用，而抑制剂喹唑啉环上的氮原子能和周围的残基形成较强的氢键相互作用，对抑制剂的活性有较大的影响，计算得到抑制剂和靶酶之间的非键相互作用能以及抑制剂和靶酶之间的相互作用信息能够很好地解释抑制剂活性和结构的关系，为全新抑制剂的设计提供了重要的结构信息。

The in vivo competitive binding test was study by adding the segment protein which CREG most binding to into the supernatant with wt/mCREG receptively. The change of CREG biologic effects on VSMC were analyseses to identified the direct binding of CREG to IGF2R domains.

将与wt/mCREG蛋白高亲合的M6P/IGF2R胞外重组小肽片段分别添加到细胞培养上清中，确定wt/mCREG蛋白对VSMC生物学行为的调控作用(流式细胞分析检测细胞增殖、刮伤实验和明胶酶谱分析细胞迁移能力)是否通过其与M6P/IGF2R小肽的直接亲合作用介导。

A series of study methods which can not research in this field begin to exert important affection. On the basis of the previous research, the following major innovative work was carried out in this dissertation.(1) Several methods including fluorescence spectra, CD and FT-IR specta methods were used to study the interaction of isoquinoline alkaloid、isoflavones and Rhein with serum albumin, and the results from every method was in good agreement;(2) The binding constants、the numbers of binding site、the binding region and the interaction force involving in the interaction of drugs and serum albumin were confirmed by Scatchard equation and Vant Hoff equation.

基于研究生物大分子与小分子相互作用具有极其重要的意义，本博士论文在前人工作的基础上，主要进行了以下几方面的创新性研究：(1)利用荧光光谱法、圆二色谱法、红外光谱法以及分子模拟等多种方法相结合研究了异喹啉类生物碱，异黄酮类化合物以及大黄酸与人血清白蛋白的相互作用，获得了准确一致的信息；(2)根据Scatchard方程和Vant Hoff方程详细研究计算了异喹啉类生物碱以及大黄酸与蛋白质结合机理包括结合常数、结合位点数、结合区域、结合力。

It is generally accepted that there are three kinds of binding modes for small molecules to DNA, which refer to intercalative binding, groove binding and electrostatic force.

对于小分子来说，分子的哪一部分插入DNA是很重要的因为它不仅有利于探索和开发新的核酸探针，而且有助于从分子水平上了解抗癌药物的作用机理，并为设计合成具有应用前景的高效的疾病诊断和化疗药物提供有用的信息。

Seam binding is the most fundamental form seam binding but the need to neaten the raw edges of the binding makes its use more difficult.

止口条是这道工序最基本的形式。斜滚边是滚边发展而来的，但需要修剪滚边的毛边，这使得它做起来比较难。

The results indicated that the extraction rate of mineral from pollen in 70℃ water was the highest. the extraction rates of four mineral: Fe, Zn, Cu and Mn were 6. 931％, 52. 786％, 44. 443％ and 46. 549％ respectively. Second speciation presented in the form of exchangeable and nonexchangeable speciations, organic and inorganic speciations at the same time. The contents of both Fe and Mn in nonexchangeable speciation were more than 50％, most contents of Fe、 Zn、Cu、Mn were inorganic speciation. Among the four elements, the content of protein binding speciation of Fe was the highest: 47. 305％. The average mineral contents of soluble carbohydrate and grease binding speciation were less than protein binding speciation.

结果表明：70℃水浸泡花粉，矿物质浸出率最高，Fe、Zn、Cu、Mn四种元素总提取率分别为6.93l％、52.786％、44.443％和46.549％；次级形态以稳定态与不稳定态、有机态与无机态等多种形态共存，其中Fe、Mn元素不稳定态含量均大于50％，Cu、Zn、Mn、Fe元素大部分以无机态形式存在；四元素中Fe元素蛋白质结合态最高，达47.305％，可溶性糖类结合态及脂肪结合态平均含量比蛋白质结合态平均含量少。

The invention discloses an elastic sectionalization ring address binding method in the network transmission technological domain, which is characterized by the following: realizing the binding of RRP ring node MAC address and IP address through ATD frame in the extended RPR protocol; without adding extra system resource consumption; converging rapidly for topology after the RPR looped network occurs switching; providing address binding information for over three layered report to transfer and utilize.

本发明涉及传输网络技术，公开了一种弹性分组环地址绑定方法，使得在不增加额外系统资源消耗的情况下实现RRP环节点MAC地址和IP地址的绑定，并且在RPR环网发生倒换后，拓扑可快速收敛。本发明中，通过扩展RPR协议中的ATD帧，在广播ATD帧的同时携带MAC地址和IP地址绑定的信息，实现所有RPR环节点的MAC地址和IP地址的绑定，该地址绑定信息可供三层以上报文转发使用。

The binding behavior and kinetics of uncoupling protein with its ligand, the Fourier-transformation infrared spectra of uncoupling protein and its changes during ligand-binding process, the inhibition of Guanosine 5＇-Tetraphosphate (G-4-P) and Adenine-β-Darabinofuranoside 5＇-triphosphate on the binding of uncoupling protein with GTP were studied.

本文对解偶联蛋白与配基的结合及其结合动力学，解偶联蛋白及其与配基结合过程中的傅里叶变换红外光谱及其光谱变化，鸟嘌呤核苷四磷酸（G-4-P）和9-β-D-阿拉伯糖基呋喃5＇-三磷酸对解偶联蛋白与GTP结合的影响进行了研究。

Flow cytometric analysis showed that after mock infection, Ad5null infection, and Ad5hSeFT infection, the mean fluorescence intensity values for the binding of Ulex europaeus Ⅰ lectin to NIH3T3 cells were 2. 3±0.6, 2. 1±1. 0, and 36. 5±5. 9, respectively; MFI values for the binding of Griffonia simplicifolia isolectin B4 (GS-IB4) lectin to NIH3T3 cells were 167±23, 170±19, and 100±14, respectively; MFI values for the binding of human natural IgG and IgM antibodies to NIH3T3 cells were 31±3, 32±4, and 22 ±4, respectively.

流式细胞分析结果表明，小鼠NIH3T3细胞及分别被Ad5null和Ad5hSeFT转导的NIH3T3细胞，UEA-1凝集素结合细胞的平均荧光强度值分别为2.3±0.6、2.1±1.0和36.5±5.9；GS-〓凝集素结合细胞的MIF值分别为167±23、170±19和100±14：人天然IgG和IgM抗体结合细胞的MFI值分别为31±3、32±4和22±4。

Listen,point and check your answers.

听，指出并且检查你的答案。

Warming needle is one of effective treatment methods for knee arthralgia aggravated by cold,and it is simple,safety,so it should be developed in clinical acupuncture and moxibustion extensively.

但以本院科针灸门诊在2005年1月—2006年6月期间共收治膝痛患者100余例，经过临床的诊断后，其中施以温针治疗的48例，疗效显著，报道如下。1临床资料本组病例48