MolecularWebXR: Multiuser discussions in chemistry and biology through immersive and inclusive augmented and virtual reality

IF 2.7 4区生物学 Q2 BIOCHEMICAL RESEARCH METHODS

Journal of molecular graphics & modelling Pub Date : 2024-12-20 DOI:10.1016/j.jmgm.2024.108932

Fabio J. Cortés Rodríguez , Gianfranco Frattini , Sittha Phloi-Montri , Fernando Teixeira Pinto Meireles , Danaé A. Terrien , Sergio Cruz-León , Matteo Dal Peraro , Eva Schier , Kresten Lindorff-Larsen , Taweetham Limpanuparb , Diego M. Moreno , Luciano A. Abriata

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Abstract

MolecularWebXR is a new web-based platform for education, science communication and scientific peer discussion in chemistry and biology, based on modern web-based Virtual Reality (VR) and Augmented Reality (AR). With no installs as it is all web-served, MolecularWebXR enables multiple users to simultaneously explore, communicate and discuss concepts about chemistry and biology in immersive 3D environments, by manipulating and passing around objects with their bare hands and pointing at different elements with natural hand gestures. Users may either be present in the same physical space or distributed around the world, in the latter case talking naturally with each other thanks to built-in audio. While MolecularWebXR offers the most immersive experience on high-end AR/VR headsets, its WebXR core also supports participation on consumer devices such as smartphones (with optional cardboard goggles for enhanced immersion), computers, and tablets. MolecularWebXR includes preset VR rooms covering topics in general, inorganic, and organic chemistry, as well as biophysics, structural biology, and general biology. Users can also add new content via the PDB2AR tool. We demonstrate MolecularWebXR's versatility and ease of use across a wide age range (12–80) in fully virtual and mixed real-virtual sessions at science outreach events, undergraduate and graduate courses, scientific collaborations, and conference presentations. MolecularWebXR is available for free use without registration at https://molecularwebxr.org. A blog post version of this preprint with embedded videos is available at https://go.epfl.ch/molecularwebxr-blog-post.

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MolecularWebXR：通过沉浸式和包容性增强现实和虚拟现实进行化学和生物学的多用户讨论。

MolecularWebXR是基于现代基于网络的虚拟现实（VR）和增强现实（AR）的化学和生物学教育、科学交流和科学同行讨论的新网络平台。MolecularWebXR无需安装，因为它都是网络服务的，它使多个用户能够同时探索、交流和讨论沉浸式3D环境中的化学和生物学概念，通过徒手操纵和传递物体，并用自然手势指向不同的元素。用户可能在同一个物理空间中，也可能分布在世界各地，在后一种情况下，由于内置音频，用户可以自然地彼此交谈。虽然MolecularWebXR在高端AR/VR头显上提供了最身临其境的体验，但它的WebXR核心也支持智能手机（可选的纸板护目镜增强沉浸感）、电脑和平板电脑等消费设备的参与。MolecularWebXR包括预设的VR房间，涵盖一般，无机和有机化学，以及生物物理学，结构生物学和一般生物学的主题。用户还可以通过PDB2AR工具添加新内容。我们在科学推广活动、本科和研究生课程、科学合作和会议演示中展示了MolecularWebXR在大年龄范围（12-80岁）的全虚拟和混合真实-虚拟会议中的多功能性和易用性。MolecularWebXR可以在https://molecularwebxr.org上免费使用，无需注册。这个预印本的博客文章版本和嵌入的视频可以在https://go.epfl.ch/molecularwebxr-blog-post上找到。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Journal of molecular graphics & modelling 生物-计算机：跨学科应用

CiteScore

5.50

自引率

6.90%

发文量

216

审稿时长

35 days

期刊介绍： The Journal of Molecular Graphics and Modelling is devoted to the publication of papers on the uses of computers in theoretical investigations of molecular structure, function, interaction, and design. The scope of the journal includes all aspects of molecular modeling and computational chemistry, including, for instance, the study of molecular shape and properties, molecular simulations, protein and polymer engineering, drug design, materials design, structure-activity and structure-property relationships, database mining, and compound library design. As a primary research journal, JMGM seeks to bring new knowledge to the attention of our readers. As such, submissions to the journal need to not only report results, but must draw conclusions and explore implications of the work presented. Authors are strongly encouraged to bear this in mind when preparing manuscripts. Routine applications of standard modelling approaches, providing only very limited new scientific insight, will not meet our criteria for publication. Reproducibility of reported calculations is an important issue. Wherever possible, we urge authors to enhance their papers with Supplementary Data, for example, in QSAR studies machine-readable versions of molecular datasets or in the development of new force-field parameters versions of the topology and force field parameter files. Routine applications of existing methods that do not lead to genuinely new insight will not be considered.