molecular modeling

The progress of LCC laboratory in research of molecular modeling has been summarized.

总结了十多年来LCC实验室在分子模型化方面的主要研究进展.

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molecular modeling technique can vividly show the result of the interaction of drugs with protein.

计算机分子对接技术，能形象地呈现药物与蛋白质的作用结果。

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Molecular Modeling of Zigzag Carbon Nanotubes and Their Main Application

基于zigzag型碳纳米管分子模型的建立及主要应用

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The 1-hydroxy ethylidene-1,1-diphosphonic acid ( HEDP) adsorption at the kink site on { 104} plane of calcite crystallite and the deposition of CaCO_3 near that kink site have been simulated by the computational method of the molecular modeling.

运用分子模拟的计算方法，模拟了羟基亚乙基二膦酸（HEDP）分子在方解石{104}面上扭折点处的吸附，以及方解石{104}面上扭折点附近碳酸钙分子的沉积过程。

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the application of molecular modeling in high flux screening of hla-a2.1 restricted ctl epitopes

分子模拟用于HLA-A2.1限制性CTL表位的高通量筛选

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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。

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dr. lee teaches computational chemistry and molecular modeling at the university.

李博士在大学里教授计算化学与分子模拟。

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Molecular modeling computational method proves that the obvious inhibition effect of HEDP comes from the adsorption around kink site.

分子模拟计算证实HEDP的阻垢效果来自扭折点的吸附。

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the application of molecular modeling technique in the development of small molecular immunity examination methods

分子模拟技术在小分子免疫检测方法研究中的应用

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molecular modeling confirmed that the main molecular force between hydroxypropyl-β-cyclodextrin and cma was the hydrogen bonding interaction.

分子模拟显示氢键是羟丙基-β-环糊精与邻氯扁桃酸之间的主要作用力。

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in this paper, the history, methods, usage in corrosion inhibition, merit and limitation of molecular modeling technique are introduced.

简要介绍了分子模型技术的历史发展、方法、应用、优点及局限性。

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from 1990s, with the development of theoretical and computational methods as well as molecular modeling technology, drug design came into a brand-new era, which mainly involves the rational drug design.

从20世纪90年代开始，随着各种理论计算方法和分子模拟技术的发展，药物设计进入了一个崭新的阶段，即合理药物设计的阶段。

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The application of molecular modeling of HLA antigens in unmatched stem cell transplantation for GVHD prediction

不完全相合造血干细胞移植中GVHD的预测研究：模拟HLA抗原结构的比较与应用

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The Mechanisms of the Thermal Decompositions of Tetrazole Derivatives: Molecular Modeling Studies

四唑衍生物热分解机理的分子模拟研究

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Quantum chemistry methods and molecular modeling technology are the main branches of the computational chemistry.

量子化学方法和分子模拟是计算化学的主要分支.

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Today, their application is much more diverse, tackling massive computational problems in the fields of climate research, molecular modeling, large-scale physical simulations, and even brute force code breaking.

如今，它们的应用更为广泛，可处理气候研究、分子建模、大型物理模拟甚至强力的密码破译等领域内的大量计算问题。

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Molecular Modeling Study of Complex Adsorption of Carbon Monoxide on Activated Carbon Loaded with Cuprous Salt

载铜活性炭络合吸附一氧化碳的分子模拟研究

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dr. smith uses the molecular modeling database for his research.

史密斯博士使用分子建模数据库进行他的研究。

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