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Informace o projektu
Visual Analysis of Protein-Ligand Interactions (PROLINT)

Kód projektu
GC18-18647J
Období řešení
3/2018 - 12/2020
Investor / Programový rámec / typ projektu
Grantová agentura ČR
  • Mezinárodní projekty
Fakulta / Pracoviště MU
Fakulta informatiky
Spolupracující organizace
Universität Ulm
  • Odpovědná osoba Prof. Dr. rer. nat. habil. Timo Ropinski
Universität Stuttgart
  • Odpovědná osoba 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.

Publikace

Počet publikací: 9

2021

2020

2019

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