中尺度探索者大尺度分子模型的可视化探索

IF 4.5 3区 生物学 Q1 BIOCHEMISTRY & MOLECULAR BIOLOGY
Protein Science Pub Date : 2024-09-18 DOI:10.1002/pro.5177
Alexander Rose, David Sehnal, David S. Goodsell, Ludovic Autin
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引用次数: 0

摘要

低温电子显微镜(cryo-EM)和低温电子断层扫描(cryo-ET)技术的出现,再加上计算建模,使得病毒、细菌和细胞器的综合三维模型得以创建。这些模型由数以千计的大分子和数十亿计的原子组成,如果没有专门的分子图形工具和硬件,在操作和可视化方面将面临巨大挑战。随着最近 GPU 渲染能力和网络浏览器功能的进步,现在可以直接在网络上交互式地渲染大型分子场景。在这项工作中,我们介绍了Mesoscale Explorer,这是一个使用Mol*框架构建的网络应用程序,专门用于从病毒到细胞器等大规模分子模型的可视化。Mesoscale Explorer 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,以无与伦比的清晰度展示了这些模型错综复杂的细节。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Mesoscale explorer: Visual exploration of large‐scale molecular models
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.
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来源期刊
Protein Science
Protein Science 生物-生化与分子生物学
CiteScore
12.40
自引率
1.20%
发文量
246
审稿时长
1 months
期刊介绍: Protein Science, the flagship journal of The Protein Society, is a publication that focuses on advancing fundamental knowledge in the field of protein molecules. The journal welcomes original reports and review articles that contribute to our understanding of protein function, structure, folding, design, and evolution. Additionally, Protein Science encourages papers that explore the applications of protein science in various areas such as therapeutics, protein-based biomaterials, bionanotechnology, synthetic biology, and bioelectronics. The journal accepts manuscript submissions in any suitable format for review, with the requirement of converting the manuscript to journal-style format only upon acceptance for publication. Protein Science is indexed and abstracted in numerous databases, including the Agricultural & Environmental Science Database (ProQuest), Biological Science Database (ProQuest), CAS: Chemical Abstracts Service (ACS), Embase (Elsevier), Health & Medical Collection (ProQuest), Health Research Premium Collection (ProQuest), Materials Science & Engineering Database (ProQuest), MEDLINE/PubMed (NLM), Natural Science Collection (ProQuest), and SciTech Premium Collection (ProQuest).
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