查询词典 conformers

The results of conformation analysis showed that the pharmacophore is contained in the favorite conformers of the generated structure.

说明这一方法能够有效的生成虚拟活性结构，与药效团检索结果对比发现生成的虚拟活性结构新颖易于合成。

However, we're still a month or so away from that point, and we DO want to continue to find any good remaining conformers from the present setup in the meantime.

然而，我们等一个月左右才能开始做这件事，并且我们确实想继续在现有数据里寻找任何好的构型。

For each molecule, draw the two possible chair conformers and circle

对于每个分子，画出两个可能的椅式构象并圈出较稳定的构象。

In chapter 5,thorough searches on the potential energy surfaces of 13 representative dipeptides are performed and structure characteristics of the stable conformers located were analyzed.

第5章中使用系统的构型寻找方法全面的研究了13种有代表性的二肽分子的势能面，并对所得到的稳定构型进行了结构特性的详细分析。

You all have done a lot of work over the last few years in crunching the candidates and targets that we have given you, and your efforts have whittled the field down to several top conformers.

在过去的几年中大家已经计算了很多我们给你的目标和候选药物，而且你们的努力已经成功筛选出了一些最好的分子。

The aggregation of amyloid β peptide results in various amyloid conformers that are toxic to neuronal cells.

类淀粉乙状蛋白的堆积会形成许多不同的形状物，而对神经细胞有毒害。

In chapter 6,thorough searches on the potential energy surfaces of 5 representative tripeptides are performed and structure characteristics of the stable conformers located were analyzed and compared with that of dipeptides.

第6章中使用系统的构型寻找方法全面的研究了5种有代表性的三肽分子的势能面，并详细分析了三肽构型的结构特点及其与二肽的差异。

While we need to keep working on the current libraries and targets in order to find all of the promising conformers that we can, we realize that a large percentage of the solution space has already been visited.

然而我们现在仍然需要在现有的数据库和目标上继续努力，以找到所有可能的最佳药物分子，我们已经完成了大部分的计算任务。

The geometry optimized results indicate that CH_3ONO has two equilibrium conformers and CH_3NO_2 has one minimum structure.

结构优化结果表明，CH3ONO有两种稳定的构象cis和trans，CH3NO2有一种稳定的结构。

According to the geometries of the conformers and the statistical weight parameters, we can construct six-state statistical weight matrices.

在此基础上，应用计算得到的模型分子的几何构型与统计权重参数，分别构建针对－CH2-和－CCl2-中心的聚偏二氯乙烯的6态旋转异构态模型。

In the United States, chronic alcoholism and hepatitis C are the most common ones.

在美国，慢性酒精中毒，肝炎是最常见的。

If you have any questions, you can contact me anytime.

如果有任何问题，你可以随时联系我。