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中尺度探索者:大规模分子模型的可视化探索。

Mesoscale explorer: Visual exploration of large-scale molecular models.

机构信息

Independent, San Diego, California, USA.

National Centre for Biomolecular Research, Faculty of Science, Masaryk University, Brno, Czech Republic.

出版信息

Protein Sci. 2024 Oct;33(10):e5177. doi: 10.1002/pro.5177.

Abstract

The advent of cryo-electron microscopy (cryo-EM) and cryo-electron tomography (cryo-ET), coupled with computational modeling, has enabled the creation of integrative 3D models of viruses, bacteria, and cellular organelles. These models, composed of thousands of macromolecules and billions of atoms, have historically posed significant challenges for manipulation and visualization without specialized molecular graphics tools and hardware. With the recent advancements in GPU rendering power and web browser capabilities, it is now feasible to render interactively large molecular scenes directly on the web. In this work, we introduce Mesoscale Explorer, a web application built using the Mol* framework, dedicated to the visualization of large-scale molecular models ranging from viruses to cell organelles. Mesoscale Explorer provides unprecedented access and insight into the molecular fabric of life, enhancing perception, streamlining exploration, and simplifying visualization of diverse data types, showcasing the intricate details of these models with unparalleled clarity.

摘要

冷冻电子显微镜(cryo-EM)和冷冻电子断层扫描(cryo-ET)的出现,加上计算建模,使得创建病毒、细菌和细胞细胞器的综合 3D 模型成为可能。这些模型由数千个大分子和数十亿个原子组成,如果没有专门的分子图形工具和硬件,对其进行操作和可视化将具有很大的挑战性。随着 GPU 渲染能力和网络浏览器功能的最新进展,现在可以在网络上直接交互式地渲染大型分子场景。在这项工作中,我们引入了 Mesoscale Explorer,这是一个使用 Mol*框架构建的网络应用程序,专门用于可视化从病毒到细胞细胞器的大规模分子模型。Mesoscale Explorer 提供了对生命分子结构的前所未有的访问和洞察力,增强了感知能力,简化了探索过程,简化了各种数据类型的可视化,以无与伦比的清晰度展示了这些模型的复杂细节。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4cd3/11409463/61cf4dbc4879/PRO-33-e5177-g001.jpg

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