Enzyme‐powered micro/nanomotors have myriads of potential applications in various areas. To efficiently reach those applications, it is necessary and critical to understand the fundamental aspects affecting the motion dynamics. Herein, we explored the impact of enzyme orientation on the performance of lipase‐powered nanomotors by tuning the lipase immobilization strategies. The influence of the lipase orientation and lid conformation on substrate binding and catalysis was analyzed using molecular dynamics simulations. Besides, the motion performance indicates that the hydrophobic binding (via OTES) represents the best orienting strategy, providing 48.4 % and 95.4 % increase in diffusion coefficient compared to hydrophilic binding (via APTES) and Brownian motion (no fuel), respectively (with C_[triacetin] of 100 mm). This work provides vital evidence for the importance of immobilization strategy and corresponding enzyme orientation for the catalytic activity and in turn, the motion performance of nanomotors, and is thus helpful to future applications.

中文翻译：

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酶的构型影响脂肪酶驱动的纳米马达的性能。

酶驱动的微型/纳米电动机在各个领域都有无数的潜在应用。为了有效地实现这些应用，了解影响运动动力学的基本方面是必要且至关重要的。在本文中，我们通过调整脂肪酶固定化策略探索了酶的取向对以脂肪酶为动力的纳米马达性能的影响。使用分子动力学模拟分析了脂肪酶取向和盖构象对底物结合和催化的影响。此外，运动性能表明疏水性结合（经由OTES）表示的最佳定向策略，分别提供在扩散系数增加48.4％和95.4％相比，亲水性的结合（经由APTES）和布朗运动（无燃料），（与Ç _[三醋精]100 m m）。这项工作为固定化策略和相应的酶方向对于催化活性以及纳米马达的运动性能的重要性提供了重要的证据，因此有助于将来的应用。