Browsing Kjemisk institutt by Author "Santos, Denys E. S."

Now showing items 1-2 of 2

  • Exploring the Molecular Dynamics of a Lipid-A Vesicle at the Atom Level: Morphology and Permeation Mechanism 
    Santos, Denys E. S.; De Nicola, Antonio; dos Santos, Vinicius F.; Milano, Giuseppe; Soares da Silva, Thereza Amelia (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2023)
    Lipid-A was previously shown to spontaneously aggregate into a vesicle via the hybrid particle field approach. We assess the validity of the proposed vesiculation mechanism by simulating the resulting lipid-A vesicle at ...
  • Surface Assessment via Grid Evaluation (SuAVE) for Every Surface Curvature and Cavity Shape 
    Santos, Denys E. S.; Coutinho, Kaline; Soares da Silva, Thereza Amelia (Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2022)
    The surface assessment via grid evaluation (SuAVE) software was developed to account for the effect of curvature in the calculations of structural properties of chemical interfaces regardless of the chemical composition, ...