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Novel 3D/VR Interactive Environment for MD Simulations, Visualization and Analysis
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    Area of Science:

    • Computational biology
    • Computer graphics
    • Molecular visualization

    Background:

    • Rendering large biological scenes with atomistic detail is memory-intensive.
    • Traditional methods struggle with the scale of complex molecular data.

    Purpose of the Study:

    • To develop a novel method for interactive rendering of massive molecular scenes.
    • To overcome GPU memory limitations in molecular visualization.

    Main Methods:

    • Hardware-accelerated ray tracing with virtual instantiation.
    • Using coarse meshes as proxy geometries and adaptive volumetric techniques.
    • Dynamic access to atomistic detail during ray tracing.

    Main Results:

    • Reduced memory consumption for scenes with trillions of atoms.
    • Interactive rendering performance with free user exploration.
    • Successful rendering of large-scale biological models (Red Blood Cell, SARS-CoV-2).

    Conclusions:

    • The proposed method efficiently handles enormous molecular scenes with minimal memory.
    • It enables interactive visualization of complex biological systems at atomistic detail.
    • The approach supports advanced rendering features and scales effectively.