分子的深处——纳米级的数字双胞胎

Q1 Computer Science
Marc Baaden
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引用次数: 4

摘要

数字孪生为虚拟现实(VR)的探索提供了丰富的潜力。使用交互式分子模拟方法,它们使人类操作员能够访问分子对象的物理特性,并构建、操作和研究它们的组装。综合建模和药物设计是该技术的重要应用。方法本研究采用头戴式虚拟现实显示器与分子模拟引擎相连接,创建交互式沉浸式数字双胞胎。它们被用来执行与特定用例相关的任务。结果从模型构建、合理设计和实物模型三个方面进行了研究。在这里,我们报道了几种离子通道、病毒成分和人工水通道的膜嵌入系统。我们能够改进和创造基于数字双胞胎的分子设计。结论分子领域的应用前景广阔,大部分技术和工艺方面的问题已经得到解决。一旦虚拟现实的使用简化,技术得到更广泛的接受,预计会有更广泛的采用。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Deep inside molecules — digital twins at the nanoscale

Background

Digital twins offer rich potential for exploration in virtual reality (VR). Using interactive molecular simulation approaches, they enable a human operator to access the physical properties of molecular objects and to build, manipulate, and study their assemblies. Integrative modeling and drug design are important applications of this technology.

Methods

In this study, head-mounted virtual reality displays connected to molecular simulation engines were used to create interactive and immersive digital twins. They were used to perform tasks relevant to specific use cases.

Results

Three areas were investigated, including model building, rational design, and tangible models. Here, we report several membrane-embedded systems of ion channels, viral components, and artificial water channels. We were able to improve and create molecular designs based on digital twins.

Conclusions

The molecular application domain offers great opportunities, and most of the technical and technological aspects have been solved. Wider adoption is expected once the onboarding of VR is simplified and the technology gains wider acceptance.

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来源期刊
Virtual Reality  Intelligent Hardware
Virtual Reality Intelligent Hardware Computer Science-Computer Graphics and Computer-Aided Design
CiteScore
6.40
自引率
0.00%
发文量
35
审稿时长
12 weeks
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