Browsing by Author "Hermosilla Casajús, Pedro"
Now showing items 1-10 of 10
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Advanced inspection techniques for molecular simulations
(Universitat Politècnica de Catalunya, 2017-07-13)
Doctoral thesis
Open AccessMolecular 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
(2018-06)
Article
Open AccessSeveral 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
(2016-02)
Article
Restricted access - publisher's policyAll-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
(European Association for Computer Graphics (Eurographics), 2018)
Conference report
Open AccessMolecular 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
(Springer, 2017-05-08)
Article
Open AccessThe 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
(2016-10-01)
Article
Open AccessThe 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
(2018-11)
Article
Open AccessDeep 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
(2018-06)
Article
Open AccessThe 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
(Universitat Politècnica de Catalunya, 2011-09)
Master thesis
Open AccessCastellano: 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
(2018-09-06)
Article
Open AccessThe 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 ...
