Mesoscale explorer: Visual exploration of large-scale molecular models

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Authors

ROSE Alexander SEHNAL David GOODSELL David S AUTIN Ludovic

Year of publication 2024
Type Article in Periodical
Magazine / Source Protein Science
MU Faculty or unit

Faculty of Science

Citation
web https://onlinelibrary.wiley.com/doi/10.1002/pro.5177
Doi http://dx.doi.org/10.1002/pro.5177
Keywords 3D animation; interactive tours; mesoscale models; molecular graphism; web-based 3D visualization
Description 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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