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bioRxiv
BIORXIV
bioRxiv
2692-8205
Cold Spring Harbor Laboratory

10.1101/2024.09.02.610826
preprint
1
Article
Mesoscale Explorer - Visual Exploration of Large-Scale Molecular Models
Rose Alexander http://orcid.org/0000-0002-0893-5551

Sehnal David http://orcid.org/0000-0002-0682-3089

Goodsell David S. http://orcid.org/0000-0002-5932-2130

Autin Ludovic http://orcid.org/0000-0002-2197-191X

03 9 2024
2024.09.02.610826https://creativecommons.org/licenses/by-nc-nd/4.0/ This work is licensed under a Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International License, which allows reusers to copy and distribute the material in any medium or format in unadapted form only, for noncommercial purposes only, and only so long as attribution is given to the creator.
http://biorxiv.org/lookup/doi/10.1101/2024.09.02.610826
nihpp-2024.09.02.610826.pdf
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.

Statement: Mesoscale Explorer leverages advanced GPU rendering and web technologies to facilitate and democratize the interactive 3D visualization of large-scale molecular models from viruses to cellular organelles composed of millions of atoms. Mesoscale Explorer enables broader exploration and deeper understanding of the complex structure of these large molecular landscapes.
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