BACKGROUND This study is one of the dynamics molecular docking that presents the interactions between a molecular model of the mixture of humic acid structure and 18 aristolochic acid structures, from the PubChem database in a water box that simulates the environment reactions. OBJECTIVE The major objective was to identify what happens in this procedure (LD/MM+) with the coupled species. METHODS LD/MM+ SIMULATION (Langevin dynamics simulation). RESULTS The R-Squared statistic indicates that the model, as fitted by MLR, explains 90.9437% of the variability in volume. CONCLUSION The interactions of these acids, the types of forces, and the way that these molecules can get closer to each other, in terms of total energy density, while identifying the specificities vis-àvis of water-aromaticity or water-reactivity behaviors were observed.

中文翻译：

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Ld/Mm+ 模拟一些马兜铃酸和腐植酸在周期盒中与水耦合。

背景这项研究是动力学分子对接研究之一，它在模拟环境反应的水箱中从 PubChem 数据库中展示了腐殖酸结构混合物的分子模型与 18 种马兜铃酸结构之间的相互作用。目标 主要目标是确定在此过程 (LD/MM+) 中与耦合物种发生的情况。方法 LD/MM+ 模拟（朗之万动力学模拟）。结果 R-Squared 统计量表明，由 MLR 拟合的模型解释了 90.9437% 的体积变异性。结.