Molecular Dynamics (MD) simulation is a computational method frequently used in biological and material sciences to efficiently model atomic and molecular interactions occurring in biological systems and effects of external stimuli on molecules and cells.

In this study, M − 1 conotoxin protein was simulated under the oscillating (time-varying) electric fields of strengths 2e⁻⁹, 6e⁻⁹ and 4.7e⁻⁸ V/nm at the frequency of 1800 MHz. Conformational changes in conotoxin were studied using Root Mean Square Deviation (RMSD), Root Mean Square Fluctuation (RMSF), secondary structure analysis and Radial Distribution Functions (RDF). We also performed cluster analysis for Conotoxin by running three simulations at the same parameters to analyse an overall conformation of the peptide.

Our findings show that applied oscillating electric field of 4.7e⁻⁸ V/nm produced changes in the conformation of conotoxin, whereas, at 6e⁻⁹ V/nm, only minor changes were observed, which were then stabilised during the simulation. The results also reveal that the applied field at the lowest strength of 2e⁻⁹ did not induce any effects on conotoxin’s conformation.

分子动力学（MD）模拟是一种在生物和材料科学中经常使用的计算方法，可以有效地模拟生物系统中发生的原子和分子相互作用以及外部刺激对分子和细胞的影响。

在这项研究中，男- 1芋螺毒素蛋白振荡（随时间变化）的长处2e的电场下模拟^-9，6E ^-9和4.7E ^-8 在1800兆赫的频率V /纳米。使用均方根偏差（RMSD），均方根涨落（RMSF），二级结构分析和径向分布函数（RDF）研究了芋螺毒素的构象变化。我们还通过在相同参数下运行三个模拟来分析该肽的整体构象，对芋螺毒素进行了聚类分析。

我们的发现表明，施加的4.7e ^-8  V / nm振荡电场会产生芋螺毒素构象的变化，而在6e ^-9  V / nm时，仅观察到微小的变化，然后在模拟过程中稳定下来。结果还表明，最低强度为2e ^-9的外加磁场对芋螺毒素的构象没有任何影响。