This is the website for NIH Center for Molecular Modeling.
这是国家健康研究所分子模型中心的网站。
In a case study highlighted by the AWS team, a top 5 pharmaceutical company was looking to perform molecular modeling against millions of compound targets.
在AWS团队指出的一个案例研究中，一家排名全球前五的制药公司在寻找分子建模方法，以处理数百万种化合物组合。
Using Molecular Figure and Computational Chemistry, molecular modeling can build up, bring forth and analyze molecular structure, computing its characters.
分子模拟技术利用分子图形学和计算化学技术来构建、展示和分析分子结构，计算分子性质。
A molecular modeling scheme using distance-restraint - based database search and contact potential analysis is proposed for modeling loop region of protein.
利用距离约束的数据库搜索方法和接触势能分析技术，提出了一种用来模建蛋白质结构环区的分子模建方法。
In 5.32, experiments also involve enzyme purification, characterization and assays, as well as molecular modeling in organic synthesis and in biochemical systems.
在5.32这门课程中，实验内容也牵涉到？的提纯，表征，测定以及有机和生物化学合成过程中的分子建模问题。
Molecular modeling is a better method for refinery modeling and optimization, which can supply more detailed molecular in-formation than conventional lumped methods.
分子模拟用于炼油生产的建模和优化能比传统集总方法提供更多分子信息。
Then the actuality and application of molecular simulation study of polymer blends were generally described. Finally, molecular modeling trends were also prospected.
概括叙述了用分子模拟方法研究聚合物共混相容性的现状及应用，对分子模拟发展趋势作了展望。
The up-to-date quantitative structure-antitumor activity relationship studies of taxol analogues based on molecular modeling techniques were reviewed in the present paper.
该文就目前以分子模拟为手段的紫杉醇类分子的定量结构-抗癌活性关系研究进行了综述。
The basic methods of both molecular modeling and computer simulation are briefly introduced and the specific codes for three sections (data input, moving atom and data output) are given.
简要地介绍了分子建模与计算机模拟的基本方法并给出了数据读入、移动原子、数据输出三部分的具体实现代码。
At the computing conference on Thursday in China, theresearchers will discuss how they are using the new system for scientificresearch in fields like astrophysics and bio-molecular modeling.
在上周四在中国计算机大会上，研究人员将讨论他们如何使用分子模拟天体物理和生物系统的像新的一样科研领域。
This lysozyme modeling work has used an average of four racks of BlueGene/L processors for several months to generate an aggregate of more than 10 microseconds of molecular dynamics data.
这项溶解酵素建模工作平均要使用 4 组BlueGene/L处理器花费几个月的时间来生成超过10微秒的分子动态数据。
The motion modeling of molecule meets the needs of interactive operation for the molecular coordinate transformation, such as rotation, transformation and scale.
对分子构建的运动模型达到了旋转、平移、放缩等交互操作对分子坐标转换的要求。
Molecular docking approach is the effective computer modeling technology in the study of this topic.
分子对接方法是研究这一课题有效的计算机模拟手段。
Molecular simulation modeling study indicated that vanadium oxides with vanadium of low oxidation number facilitated the conversion of sulfides.
过滤金属化合物与硫化物相互作用的分子模拟研究结果表明，低氧化数钒的氧化物有利于促进硫化物的转化。
Polycycles and symmetric polyhedra appear as generalizations of graphs in the modeling of molecular structures, such as the Nobel prize winning fullerenes, occurring in chemistry and crystallography.
多角和对称的多面体显示为图的概括的，分子结构模型，如诺贝尔奖获奖富勒烯奖，化学和晶体发生。
Homology modeling; molecular docking; Steered molecular dynamics; Inhibitor; Selectivity.
同源模建；分子对接；拉伸分子动力学；抑制剂；选择性。
The main contents include homology modeling, molecular docking, molecular dynamics simulation.
主要包括同源模建、分子对接、分子动力学等的研究。
The 3d structure of EGFR was constructed using homology modeling, and the complex structures between receptor and ligands were predicted by using molecular mechanics and molecular dynamics.
表皮生长因子受体的三维结构通过同源蛋白模建的方法得到，而抑制剂和靶酶结合复合物结构则通过分子力学和分子动力学结合的方法计算得到。
The 3d structure of EGFR was constructed using homology modeling, and the complex structures between receptor and ligands were predicted by using molecular mechanics and molecular dynamics.
表皮生长因子受体的三维结构通过同源蛋白模建的方法得到，而抑制剂和靶酶结合复合物结构则通过分子力学和分子动力学结合的方法计算得到。
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