<div class="csl-bib-body">
<div class="csl-entry">Byska, J., Le Muzic, M., Gröller, E., Viola, I., & Kozlikova, B. (2017, July 24). <i>AnimoAminoMiner: Exploration of Protein Tunnels and their Properties in Molecular Dynamics</i> [Conference Presentation]. Symposium on Biological Data Visualization (BioVis) at ISMB 2017, Prag, Czechia. http://hdl.handle.net/20.500.12708/57111</div>
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dc.identifier.uri
http://hdl.handle.net/20.500.12708/57111
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dc.description.abstract
Protein structures have been in the focus of structural biology research for decades. The study of their interactions with other smaller molecules (known as ligands) helps to reveal the fundamentals of biochemical processes that are taking place in living cells. Such reaction between a protein and a ligand often takes place deep inside the protein structure. In this paper, we present a novel visualization method for interactive exploration of protein tunnels, which connect the protein surface with deeply buried reaction sites. The tunnel geometry together with biochemical properties of surrounding amino acids and their changes over time determine whether a ligand can pass through the tunnel and reach the reaction site. The proposed visualization abstracts from the common 3D tunnel representation. The complex geometry of a tunnel is simplified by straightening the tunnel and depicting only its width profile and its changes over time. This frees up the visual space and allows the expert to directly depict the key physico-chemical properties of individual amino acids surrounding the tunnel in a single view. In our representation, each amino acid is depicted as a set of colored lines showing the spatial and temporal impact of the amino acid on the tunnel. The vertical ordering communicates the importance of amino acids with respect to selected criteria. It helps biochemists to select the most interesting candidates for further examination. The representation was developed in tight collaboration with domain experts and their feedback is presented on case studies.
en
dc.language.iso
en
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dc.subject
Software
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dc.subject
Computer Graphics and Computer-Aided Design
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dc.subject
Computer Vision and Pattern Recognition
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dc.subject
Signal Processing
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dc.title
AnimoAminoMiner: Exploration of Protein Tunnels and their Properties in Molecular Dynamics
en
dc.type
Vortrag
de
dc.type
Presentation
en
dc.type.category
Conference Presentation
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tuw.researchTopic.id
I5
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tuw.researchTopic.name
Visual Computing and Human-Centered Technology
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tuw.researchTopic.value
100
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tuw.linking
http://biovis.net/2017/program_ismb/
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tuw.publication.orgunit
E193-02 - Forschungsbereich Computer Graphics
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tuw.event.name
Symposium on Biological Data Visualization (BioVis) at ISMB 2017
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tuw.event.startdate
24-07-2017
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tuw.event.enddate
24-07-2017
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tuw.event.online
On Site
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tuw.event.type
Event for scientific audience
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tuw.event.place
Prag
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tuw.event.country
CZ
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tuw.event.presenter
Byska, Jan
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tuw.event.track
Single Track
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wb.sciencebranch
Informatik
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wb.sciencebranch.oefos
1020
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wb.facultyfocus
Visual Computing and Human-Centered Technology (VC + HCT)
de
wb.facultyfocus
Visual Computing and Human-Centered Technology (VC + HCT)
en
wb.facultyfocus.faculty
E180
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wb.presentation.type
science to science/art to art
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item.grantfulltext
restricted
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item.cerifentitytype
Publications
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item.openairecristype
http://purl.org/coar/resource_type/c_18cp
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item.languageiso639-1
en
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item.openairetype
conference paper not in proceedings
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item.fulltext
no Fulltext
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crisitem.author.dept
E186 - Institut für Computergraphik und Algorithmen
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crisitem.author.dept
E193-02 - Forschungsbereich Computer Graphics
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crisitem.author.dept
E193-02 - Forschungsbereich Computer Graphics
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crisitem.author.orcid
0000-0002-8569-4149
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crisitem.author.parentorg
E180 - Fakultät für Informatik
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crisitem.author.parentorg
E193 - Institut für Visual Computing and Human-Centered Technology
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crisitem.author.parentorg
E193 - Institut für Visual Computing and Human-Centered Technology