From complex data to clear insights: visualizing molecular dynamics trajectories

H Belghit, M Spivak, M Dauchez, M Baaden… - Frontiers in …, 2024 - frontiersin.org
Advances in simulations, combined with technological developments in high-performance
computing, have made it possible to produce a physically accurate dynamic representation …

Visual exploration of large normal mode spaces to study protein flexibility

P Bedoucha, N Reuter, H Hauser, J Byška - Computers & Graphics, 2020 - Elsevier
When studying the function of proteins, biochemists utilize normal mode decomposition to
enable the analysis of structural changes on time scales that are too long for molecular …

Analyzing the similarity of protein domains by clustering Molecular Surface Maps

K Schatz, F Friess, M Schäfer, PCF Buchholz… - Computers & …, 2021 - Elsevier
Many biochemical and biomedical applications such as protein engineering or drug design
are concerned with finding functionally similar proteins, however, this remains to be a …

[PDF][PDF] Protein Tunnel Reprojection for Physico-Chemical Property Analysis.

J Malzahn, B Kozlíková, T Ropinski - VCBM, 2017 - diglib.eg.org
Cavities are crucial for interactions of proteins with other molecules. While a variety of
different cavity types exists, tunnels in particular play an important role, as they enable a …

BioMedical Visualization: Past Work, Current Trends, and Open Challenges

K Furmanová - Springer
Medicine and biology are important research fields with a significant impact on humans and
their health. In the last few decades, many visualization strategies have been proposed for …

[PDF][PDF] Analyzing Protein Similarity by Clustering Molecular Surface Maps.

K Schatz, F Frieß, M Schäfer, T Ertl, M Krone - VCBM, 2020 - diglib.eg.org
Many biochemical and biomedical applications like protein engineering or drug design are
concerned with finding functionally similar proteins, however, this remains to be a …

[PDF][PDF] Molecular Sombreros: Abstract Visualization of Binding Sites within Proteins

B Kozlíková, L Linsen, PP Vázquez - 2019 - diglib.eg.org
We present a novel abstract visualization for the binding sites of proteins. Binding sites play
an essential role in enzymatic reactions and are, thus, often investigated in structural …

Vergleichende Visualisierung von Moleküloberflächen durch ähnlichkeitsbasiertes Clustering

T Baur - 2019 - elib.uni-stuttgart.de
Ziel dieser Arbeit ist die Umsetzung einer vergleichenden Visualisierung von
Moleküloberflächen durch ein ähnlichkeitsbasiertes Clustering mit 2D-Oberflächenkarten …

[PDF][PDF] Analysis and Visualization of Biomolecules

B Kozlıková - 2016 - is.muni.cz
All living organisms consist of biomolecules and understanding the complex processes and
interactions between them helps also to understand the reasons of their deficiencies and …