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Project information
Visual Analysis of Protein-Ligand Interactions (PROLINT)

Project Identification
GC18-18647J
Project Period
3/2018 - 12/2020
Investor / Pogramme / Project type
Czech Science Foundation
  • International projects
MU Faculty or unit
Faculty of Informatics
Cooperating Organization
Universität Ulm
  • Responsible person Prof. Dr. rer. nat. habil. Timo Ropinski
University of Stuttgart
  • Responsible person Dr. rer. nat. Michael Krone

The visual analysis of protein structures has been researched in several projects within the past few years. While molecular structures are relevant, it is necessary to focus on both interaction partners and to also take into account their physico-chemical properties in order to understand protein interactions. Thus, within this research project, we plan to enable the visual analysis of protein-ligand interactions as captured in state-of-the-art simulations by focusing on these properties. The main goal is to make these time-dependent data sets better accessible for protein designers, and help them to develop adaptions that enable a more efficient interaction. In particular, we will develop novel visualization techniques which convey the relevant properties by means of abstract representations as well as structural embeddings. We will enhance these techniques for a visual comparison of different interactions, which eventually enable us to develop domain-centered immersive visual analytics approaches. We will evaluate our methods together with domain experts in order to ensure their effectiveness for the visual analysis of protein-ligand interactions.

Publications

Total number of publications: 9

2021

2020

2019

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