Browsing MolVa: Workshop on Molecular Graphics and Visual Analysis of Molecular Data 2018 by Title

Now showing items 1-5 of 5

    • An Accelerated Online PCA with O(1) Complexity for Learning Molecular Dynamics Data 

      Alakkari, Salaheddin; Dingliana, John (The Eurographics Association, 2018)
      In this paper, we discuss the problem of decomposing complex and large Molecular Dynamics trajectory data into simple low-resolution representation using Principal Component Analysis (PCA). Since applying standard PCA for ...

    • Atomic Accessibility Radii for Molecular Dynamics Analysis 

      Lindow, Norbert; Baum, Daniel; Hege, Hans-Christian (The Eurographics Association, 2018)
      In molecular structure analysis and visualization, the molecule's atoms are often modeled as hard spheres parametrized by their positions and radii. While the atom positions result from experiments or molecular simulations, ...

    • Mol*: Towards a Common Library and Tools for Web Molecular Graphics 

      Sehnal, David; Rose, Alexander; Koca, Jaroslav; Burley, Stephen; Velankar, Sameer (The Eurographics Association, 2018)
      Advances in experimental techniques are providing access to structures of ever more complex and larger macromolecular systems. Web-browser based visualization and analysis of macromolecular structures and associated data ...

    • MolVA 2018: Frontmatter 

      Byška, Jan; Krone, Michael; Sommer, Björn (The Eurographics Association, 2018)

    • VIA-MD: Visual Interactive Analysis of Molecular Dynamics 

      Skånberg, Robin; Linares, Mathieu; König, Carolin; Norman, Patrick; Jönsson, Daniel; Hotz, Ingrid; Ynnerman, Anders (The Eurographics Association, 2018)
      We present a visual exploration environment tailored for large-scale spatio-temporal molecular dynamics simulation data. The environment is referred to as VIA-MD (visual interactive analysis of molecular dynamics) and has ...