Now showing items 1-11 of 11

  • A general illumination model for molecular visualization 

    Hermosilla Casajús, Pedro; Vázquez Alcocer, Pere Pau; Vinacua Pla, Álvaro; Ropinski, Timo (2018-06)
    Article
    Restricted access - publisher's policy
    Several visual representations have been developed over the years to visualize molecular structures, and to enable a better understanding of their underlying chemical processes. Today, the most frequently used atom-based ...
  • An experimental study on the effects of shading in 3D perception of volumetric models 

    Díaz Iriberri, José; Ropinski, Timo; Navazo Álvaro, Isabel; Gobbetti, Enrico; Vázquez Alcocer, Pere Pau (Springer, 2017-01)
    Article
    Restricted access - publisher's policy
    Throughout the years, many shading techniques have been developed to improve the conveying of information in volume visualization. Some of these methods, usually referred to as realistic, are supposed to provide better ...
  • Improving perception of molecular surface visualizations by incorporating translucency effects 

    Hermosilla Casajús, Pedro; Maisch, Sebastian; Vázquez Alcocer, Pere Pau; Ropinski, Timo (European Association for Computer Graphics (Eurographics), 2018)
    Conference report
    Open Access
    Molecular surfaces are a commonly used representation in the analysis of molecular structures as they provide a compact description of the space occupied by a molecule and its accessibility. However, due to the high ...
  • Interactive GPU-based generation of solvent-excluded surfaces 

    Hermosilla Casajús, Pedro; Krone, Michael; Guallar, Víctor; Vázquez Alcocer, Pere Pau; Vinacua Pla, Álvaro; Ropinski, Timo (Springer, 2017-05-08)
    Article
    Open Access
    The solvent-excluded surface (SES) is a popular molecular representation that gives the boundary of the molecular volume with respect to a specific solvent. SESs depict which areas of a molecule are accessible by a specific ...
  • Interactive GPU-based generation of solvent-excluded surfaces 

    Hermosilla, Pedro; Krone, Michael; Guallar, Victor; Vázquez, Pere-Pau; Vinacua Pla, Álvaro; Ropinski, Timo (Springer International Publishing, 2017-06)
    Article
    Open Access
    The solvent-excluded surface (SES) is a popular molecular representation that gives the boundary of the molecular volume with respect to a specific solvent. SESs depict which areas of a molecule are accessible by a specific ...
  • Monte Carlo convolution for learning on non-uniformly sampled point clouds 

    Hermosilla Casajús, Pedro; Ristchel, Tobias; Vázquez Alcocer, Pere Pau; Vinacua Pla, Álvaro; Ropinski, Timo (2018-11)
    Article
    Open Access
    Deep learning systems extensively use convolution operations to process input data. Though convolution is clearly defined for structured data such as 2D images or 3D volumes, this is not true for other data types such as ...
  • Perceptual effects of volumetric shading models in stereoscopic desktop-based environments 

    Díaz Iriberri, José; Ropinski, Timo; Navazo Álvaro, Isabel; Gobbetti, Enrico; Vázquez Alcocer, Pere Pau (2015)
    Conference lecture
    Open Access
    Throughout the years, many shading techniques have been developed to improve the conveying of information in Volume Visualization. Some of these methods, usually referred to as realistic, are supposed to provide better ...
  • Physics-Based Visual Characterization of Molecular Interaction Forces 

    Hermosilla, Pedro; Estrada, Jorge; Guallar, Victor; Ropinski, Timo; Vinacua, Álvar; Vázquez, Pere-Pau (IEEE, 2017-01)
    Article
    Open Access
    Molecular design procedures, such as drug design and protein engineering’ are complex processes, largely benefiting from computational resources but also from human analysis. In drug design, for example, a costly iterative ...
  • Physics-based visual characterization of molecular interaction forces 

    Hermosilla, Pedro; Estrada, Jorge; Guallar, Víctor; Ropinski, Timo; Vinacua Pla, Álvaro; Vázquez Alcocer, Pere Pau (2017-01-01)
    Article
    Open Access
    Molecular simulations are used in many areas of biotechnology, such as drug design and enzyme engineering. Despite the development of automatic computational protocols, analysis of molecular interactions is still a major ...
  • Real-time molecular visualization supporting diffuse interreflections and ambient occlusion 

    Skanberg, Robin; Vázquez Alcocer, Pere Pau; Guallar, Victor; Ropinski, Timo (2016-01-01)
    Article
    Open Access
    Today molecular simulations produce complex data sets capturing the interactions of molecules in detail. Due to the complexity of this time-varying data, advanced visualization techniques are required to support its visual ...
  • Visualization of large molecular trajectories 

    Duran Rosich, David; Hermosilla Casajús, Pedro; Ropinski, Timo; Kozliková, Barbora; Vinacua Pla, Álvaro; Vázquez Alcocer, Pere Pau (2018-09-06)
    Article
    Open Access
    The analysis of protein-ligand interactions is a time-intensive task. Researchers have to analyze multiple physico-chemical properties of the protein at once and combine them to derive conclusions about the protein-ligand ...