Now showing items 4-5 of 5

    • PBmapclust: Mapping and Clustering the Protein Conformational Space Using a Structural Alphabet 

      Vetrivel, Iyanar; Hoffmann, Lionel; Guegan, Sean; Offmann, Bernard; Laurent, Adele D. (The Eurographics Association, 2019)
      Analyzing the data from molecular dynamics simulation of biological macromolecules like proteins is challenging. We propose a simple tool called PBmapclust that is based on a well established structural alphabet called ...
    • QuickSES: A Library for Fast Computation of Solvent Excluded Surfaces 

      Martinez, Xavier; Krone, Michael; Baaden, Marc (The Eurographics Association, 2019)
      Recently, several fast methods to compute Solvent Excluded Surfaces (SES) on GPUs have been presented. While these published methods reportedly yield interesting and useful results, up to now no public, freely accessible ...