9 citations · 9 across the 3 of their papers we have counts for
3 papers
Visual Support for the Loop Grafting Workflow on Proteins
Filip Opálený, Pavol Ulbrich, Joan Planas-Iglesias +5
In understanding and redesigning the function of proteins in modern biochemistry, protein engineers are increasingly focusing on exploring regions in proteins called loops. Analyzi…
sMolBoxes: Dataflow Model for Molecular Dynamics Exploration
Pavol Ulbrich, Manuela Waldner, Katarína Furmanová +4
We present sMolBoxes, a dataflow representation for the exploration and analysis of long molecular dynamics (MD) simulations. When MD simulations reach millions of snapshots, a fra…
ChemVA: Interactive Visual Analysis of Chemical Compound Similarity in Virtual Screening
María Virginia Sabando, Pavol Ulbrich, Matías Selzer +6
In the modern drug discovery process, medicinal chemists deal with the complexity of analysis of large ensembles of candidate molecules. Computational tools, such as dimensionality…