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@article{1546968,
author = {Furmanová, Katarína and Jurčík, Adam and Kozlíková, Barbora and Hauser, Helwig and Byška, Jan},
article_number = {1},
doi = {http://dx.doi.org/10.1109/TVCG.2019.2934333},
keywords = {Molecular Visualization; Data Filtering; Coordinated and Multiple Views},
language = {eng},
issn = {1077-2626},
journal = {IEEE Transactions on Visualization and Computer Graphics},
title = {Multiscale Visual Drilldown for the Analysis of Large Ensembles of Multi-Body Protein Complexes},
url = {http://dx.doi.org/10.1109/TVCG.2019.2934333},
volume = {26},
year = {2020}
}
TY - JOUR
ID - 1546968
AU - Furmanová, Katarína - Jurčík, Adam - Kozlíková, Barbora - Hauser, Helwig - Byška, Jan
PY - 2020
TI - Multiscale Visual Drilldown for the Analysis of Large Ensembles of Multi-Body Protein Complexes
JF - IEEE Transactions on Visualization and Computer Graphics
VL - 26
IS - 1
SP - 843-852
EP - 843-852
PB - IEEE
SN - 10772626
KW - Molecular Visualization
KW - Data Filtering
KW - Coordinated and Multiple Views
UR - http://dx.doi.org/10.1109/TVCG.2019.2934333
L2 - http://dx.doi.org/10.1109/TVCG.2019.2934333
N2 - When studying multi-body protein complexes, biochemists use computational tools that can suggest hundreds or thousands of their possible spatial configurations. However, it is not feasible to experimentally verify more than only a very small subset of them. In this paper, we propose a novel multiscale visual drilldown approach that was designed in tight collaboration with proteomic experts, enabling a systematic exploration of the configuration space. Our approach takes advantage of the hierarchical structure of the data – from the whole ensemble of protein complex configurations to the individual configurations, their contact interfaces, and the interacting amino acids. Our new solution is based on interactively linked 2D and 3D views for individual hierarchy levels and at each level, we offer a set of selection and filtering operations enabling the user to narrow down the number of configurations that need to be manually scrutinized. Furthermore, we offer a dedicated filter interface, which provides the users with an overview of the applied filtering operations and enables them to examine their impact on the explored ensemble. This way, we maintain the history of the exploration process and thus enable the user to return to an earlier point of the exploration. We demonstrate the effectiveness of our approach on two case studies conducted by collaborating proteomic experts.
ER -
FURMANOVÁ, Katarína, Adam JURČÍK, Barbora KOZLÍKOVÁ, Helwig HAUSER and Jan BYŠKA. Multiscale Visual Drilldown for the Analysis of Large Ensembles of Multi-Body Protein Complexes. \textit{IEEE Transactions on Visualization and Computer Graphics}. IEEE, 2020, vol.~26, No~1, p.~843-852. ISSN~1077-2626. Available from: https://dx.doi.org/10.1109/TVCG.2019.2934333.
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