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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.

作者信息

Rose Alexander, Sehnal David, Goodsell David S, Autin Ludovic

机构信息

independent.

National Centre for Biomolecular Research, Faculty of Science, Masaryk University, 625 00, Brno, Czech Republic.

出版信息

bioRxiv. 2024 Sep 3:2024.09.02.610826. doi: 10.1101/2024.09.02.610826.

DOI:10.1101/2024.09.02.610826
PMID:39282403
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC11398308/
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 , a web application built using the * framework, dedicated to the visualization of large-scale molecular models ranging from viruses to cell organelles. 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，再加上计算建模，使得创建病毒、细菌和细胞器的综合三维模型成为可能。这些由数千个大分子和数十亿个原子组成的模型，在没有专门的分子图形工具和硬件的情况下，历史上在操作和可视化方面带来了重大挑战。随着GPU渲染能力和网络浏览器功能的最新进展，现在直接在网络上交互式渲染大型分子场景变得可行。在这项工作中，我们介绍了 ，一个使用 * 框架构建的网络应用程序，致力于可视化从病毒到细胞器的大规模分子模型。 提供了对生命分子结构前所未有的访问和洞察，增强了感知，简化了探索，并简化了各种数据类型的可视化，以前所未有的清晰度展示了这些模型的复杂细节。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5c17/11398308/57df051d76d9/nihpp-2024.09.02.610826v1-f0010.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5c17/11398308/58abccdc95b2/nihpp-2024.09.02.610826v1-f0001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5c17/11398308/c10d71235fa5/nihpp-2024.09.02.610826v1-f0002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5c17/11398308/44459ba57633/nihpp-2024.09.02.610826v1-f0003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5c17/11398308/25e20b11a4b6/nihpp-2024.09.02.610826v1-f0004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5c17/11398308/cd94f5d4d611/nihpp-2024.09.02.610826v1-f0005.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5c17/11398308/944d916ed483/nihpp-2024.09.02.610826v1-f0006.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5c17/11398308/7fdb9d6056d3/nihpp-2024.09.02.610826v1-f0007.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5c17/11398308/100f61a5b300/nihpp-2024.09.02.610826v1-f0008.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5c17/11398308/02d0dd82b215/nihpp-2024.09.02.610826v1-f0009.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5c17/11398308/57df051d76d9/nihpp-2024.09.02.610826v1-f0010.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5c17/11398308/58abccdc95b2/nihpp-2024.09.02.610826v1-f0001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5c17/11398308/c10d71235fa5/nihpp-2024.09.02.610826v1-f0002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5c17/11398308/44459ba57633/nihpp-2024.09.02.610826v1-f0003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5c17/11398308/25e20b11a4b6/nihpp-2024.09.02.610826v1-f0004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5c17/11398308/cd94f5d4d611/nihpp-2024.09.02.610826v1-f0005.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5c17/11398308/944d916ed483/nihpp-2024.09.02.610826v1-f0006.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5c17/11398308/7fdb9d6056d3/nihpp-2024.09.02.610826v1-f0007.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5c17/11398308/100f61a5b300/nihpp-2024.09.02.610826v1-f0008.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5c17/11398308/02d0dd82b215/nihpp-2024.09.02.610826v1-f0009.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5c17/11398308/57df051d76d9/nihpp-2024.09.02.610826v1-f0010.jpg

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