分子力

它的出现，立即引起了科学家广泛的兴趣和研究，也为分子力的教学提供了一个实例，还拓宽了学生的科学视野。

It arouses intensive interest and research from scientists , and it also provides a living example for the teaching of molecular force .

氢键缔合体的分子力场和振动光谱的研究

The Molecular Force Fields and Vibrational Spectra of Intermolecular Hydrogen Bonded Molecules

另一方面通过AFM单分子力谱对芽孢衣蛋白相互作用进行了研究。

The interactions among proteins were also investigated by single molecule force spectroscopy .

方法采用比较分子力场分析（CoMFA）方法。

Methods Chemical synthesis combined with comparative molecular field analysis ( CoMFA ) .

利用比较分子力场分析法分别建立了可提示具有高活性及高选择性的5-HT再摄取抑制剂分子结构信息的三维定量构效关系模型。

By using the comparative molecular field analysis ( CoMFA ), a3D-QSAR model was established to display the relationship between structure and the potency for inhibition of5-HT uptake .

α1-AR拮抗剂DDPH类似物的比较分子力场分析

Comparative Molecular Field Analysis ( CoMFA ) of α _1-Adrenocepter Antagonist DDPH and Its Analogues

利用3D－QSAR中的比较分子力场分析法（CoMFA）研究了标题化合物的定量构效关系。通过不同探针与空间网格点间隙的对比研究，发现以、空间网格点间隙20nm结果为最优。

In this paper , we studied the quantitative structure-activity relationship ( QSAR ) of 1-cyclopropyl-5,7,8-substitute-6-fluoro-1,4-dihydrogen-4-oxo-3-quinoline acid with CoMFA ( Comparative Molecular Field Analysis ) of 3D-QSAR .

为了系统的研究该类化合物的构效关系，作者利用质子探针、sp~3杂化的CH3探针、Fe~（2+）探针进行比较分子力场分析，得到了稳定有效的模型。

To systemic study the three dimensional structure-activity relationship of QHS ' derivatives , an efficient , steady model is built to carry out comparative molecular field analysis using proton probe , CH3 probe and Fe ~ ( 2 + ) probe .

该模型符合极化力场的要求，杨等人据此建立了应用于模拟蛋白质体系的浮动电荷力场（原子-键电负性均衡方法与力场相结合模型），即ABEEM／MM分子力场。

The ABEEM / MM model ( atom-bond electronegativity equalization method fused into molecular mechanics ) is built for protein . The Lennard-Jones and torsional parameters were optimized to be consistent with the ABEEM / MM fluctuating charge electrostatic potential .

选择适于有机高分子的DREIDING分子力场，根据模型的原子类型，参照文献数据修改其力场参数。

DREIDING was chosed as force field and its parameters is modified according to the published data .

方法和结果：利用比较分子力场方法，建立了IIb／IIIa受体拮抗剂的三维定量构效模型。

METHODS AND RESULTS : A series of 16 GPIIb / IIIa antagonists were investigated with the aim of developing a 3D QSAR model using comparative molecular field analysis ( CoMFA ) .

但是将该力场在不同的温度下进行计算时，却无法得到相同温度下的重现精度，表明IBI方法确定的粗粒化分子力场在温度穿越性方面存在缺陷。

However , this CG force fields , obtained from a specific temperature with IBI method , show some defects in the ability of temperature crossing , through the tests at the various temperatures .

运用三维定量结构活性关系分析方法比较分子力场分析法（CoMFA），研究了青蒿素醚类和酯类衍生物的理化性质与抗疟活性的关系。

Comparative molecular field analysis ( CoMFA ), a three-dimensional quantitative structure-activity relationship ( 3D-QSAR ) paradigm , was used to study the correlations between the physicochemical properties and the in vitro activities of a series of ether and ester analogs of artemisinin .

采用比较分子力场分析法（CoMFA）和比较分子相似性指数分析法（CoMSIA），系统地研究了40个苯并呋喃类N-肉豆蔻酰基转移酶（NMT）抑制剂的三维定量构效关系。

Using comparative molecular field analysis ( CoMFA ) and comparative molecular similarity indices analysis ( CoMSIA ), three dimensional structure-activity relationship ( 3D-QSAR ) studies were carried out on a series of benzofuran N-myristoyl transferase ( NMT ) inhibitors .

你们可以看到我们这个，分子力有两个未配对电子，一个在π2px星，一个在π2py星轨道。

You can see that we have two unpaired electrons in this molecule here one in the pi2 p x star , and one in the pi2 p y star orbital .

通过比较分子力场法（CoMFA）研究可以指导1,2,4-oxadiazole类非季铵肟胆碱酯酶重活化剂新化合物的合成，可能得到活性更高的复能剂。

They act on the aromatic residues of AChE by Π - Π conjugation . ( 4 ) The reached results by Comparative Molecular Field Analysis ( CoMFA ) is useful to design new higher efficacy derivatives for 1 , 2 , 4-oxadiazole class nonquaternary Cholinesterase Reactivators .

分子力对大豆蛋白透明凝胶作用机理研究

Study on mechanisms of molecular forces to soybean protein transparent gels

多原子分子力场的量子化学研究

Quantum chemical study on force helds of polyatomic molecules and molecular ions

醛酮类化合物的分子力场参数推导及热力学性质计算

Force Field Development and Predictions of Thermodynamic Properties for Aldehydes and Ketones

高分子界面吸附的单分子力谱研究

Single-molecule Force Spectroscopy on the Interfacial Adsorption of Macromolecules

分子力对气体输运系数的影响

The effect of molecular force on transport coefficients

实验表明，分子力为吸引力和排斥力的矢量和。

Experiments show that the molecular force of attraction and repulsion of the vector .

模型势函法计算多原子分子力场的研究

Research in the Calculation of Force Field of Polyatomic Molecule Utilizing Model Potential Function Method

富勒烯与分子力教学

Fullerene & The Teaching of Molecular Force

单分子力谱是基于原子力显微镜力的测量方法。

Single molecule force spectroscopy ( SMFS ) is a force measurement based on AFM .

而单分子力谱为人们研究机械力这一重要的因素对生物分子的影响提供了可能。

Single-molecule force spectroscopy allows people to study the effects of mechanical force on biological molecules .

在本论文第二章，研究了聚4-乙烯基吡啶的单分子力谱。

In Chapter 2 , the SMFS of poly ( 4-vinylpyridine ) ( P4VP ) is studied .

只有分子力使之稳定下来，但是如果分子力被破坏了。

Only the cell bonds hold it in check , but if the bonds were ever breached .

分子力场进展

Progress in molecular force field

随着仪器检测手段的革命性进步，单分子力谱技术得以空前发展。

With the revolutionary advances in instrument and detection means , single molecule force spectroscopy techniques have developed rapidly .