Listar por autor "Hermosilla Casajús, Pedro"

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  • Advanced inspection techniques for molecular simulations 

    Hermosilla Casajús, Pedro (Universitat Politècnica de Catalunya, 2017-07-13)
    Tesis
    Acceso abierto
    Molecular dynamics simulations are computer simulations of the physical movements of atoms and molecules, and the interactions between them. In the particular cases we focus on (pharmaceutical drug design and enzymatic ...

  • A general illumination model for molecular visualization 

    Hermosilla Casajús, Pedro; Vázquez Alcocer, Pere Pau; Vinacua Pla, Álvaro; Ropinski, Timo (2018-06)
    Artículo
    Acceso abierto
    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 ...

  • High quality illustrative effects for molecular rendering 

    Hermosilla Casajús, Pedro; Guallar, Víctor; Vinacua Pla, Álvaro; Vázquez Alcocer, Pere Pau (2016-02)
    Artículo
    Acceso restringido por política de la editorial
    All-atom simulations are crucial in biotechnology. In Pharmacology, for example, molecular knowledge of protein-drug interactions is essential in the understanding of certain pathologies and in the development of improved ...

  • 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)
    Texto en actas de congreso
    Acceso abierto
    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)
    Artículo
    Acceso abierto
    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 inspection of complex multi-object industrial assemblies 

    Argudo Medrano, Óscar; Besora Vilardaga, Isaac; Brunet Crosa, Pere; Creus López, Carles; Hermosilla Casajús, Pedro; Navazo Álvaro, Isabel; Vinacua Pla, Álvaro (2016-10-01)
    Artículo
    Acceso abierto
    The use of virtual prototypes and digital models containing thousands of individual objects is commonplace in complex industrial applications like the cooperative design of huge ships. Designers are interested in selecting ...

  • 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)
    Artículo
    Acceso abierto
    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 ...

  • Visual analysis of protein-ligand interactions 

    Vázquez Alcocer, Pere Pau; Hermosilla Casajús, Pedro; Guallar, Víctor; Estrada, Jorge; Vinacua Pla, Álvaro (2018-06)
    Artículo
    Acceso abierto
    The analysis of protein-ligand interactions is complex because of the many factors at play. Most current methods for visual analysis provide this information in the form of simple 2D plots, which, besides being quite space ...

  • Visualización Ilustrativa de Fibras Cerebrales 

    Hermosilla Casajús, Pedro (Universitat Politècnica de Catalunya, 2011-09)
    Projecte Final de Màster Oficial
    Acceso abierto
    Castellano: Di usion Tensor Imaging (DTI) es una técnica de imagen basada en la resonancia magnética (MR), que ofrece una visión única de la organización estructural de la sustancia blanca del cerebro. Esto se consigue ...

  • 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)
    Artículo
    Acceso abierto
    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 ...