Publikation: APL@Voro : Interactive Visualisation and Analysis of Cell Membrane Simulations
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2023
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Bioinformatics. Oxford University Press (OUP). 2023, 39(2), btad083. ISSN 1367-4803. eISSN 1367-4811. Verfügbar unter: doi: 10.1093/bioinformatics/btad083
Zusammenfassung
Molecular dynamics (MD) simulations of cell membranes allow for a better understanding of complex processes such as changing membrane dynamics, lipid rafts and the incorporation/passing of macromolecules into/through membranes. To explore and understand cell membrane compositions, dynamics and processes, visual analytics can help to interpret MD simulation data. APL@Voro is a software for the interactive visualisation and analysis of cell membrane simulations. Here, we present the new APL@Voro, which has been continuously developed since its initial release in 2013. We discuss newly implemented algorithms, methodologies and features, such as the interactive comparison of related simulations and methods to assign lipids to either the upper or lower leaflet.
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004 Informatik
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Computational Mathematics, Computational Theory and Mathematics, Computer Science Applications, Molecular Biology, Biochemistry, Statistics and Probability
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KERN, Martin, Sabrina JAEGER-HONZ, Falk SCHREIBER, Björn SOMMER, 2023. APL@Voro : Interactive Visualisation and Analysis of Cell Membrane Simulations. In: Bioinformatics. Oxford University Press (OUP). 2023, 39(2), btad083. ISSN 1367-4803. eISSN 1367-4811. Verfügbar unter: doi: 10.1093/bioinformatics/btad083BibTex
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title={APLVoro : Interactive Visualisation and Analysis of Cell Membrane Simulations},
year={2023},
doi={10.1093/bioinformatics/btad083},
number={2},
volume={39},
issn={1367-4803},
journal={Bioinformatics},
author={Kern, Martin and Jaeger-Honz, Sabrina and Schreiber, Falk and Sommer, Björn},
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<dcterms:abstract>Molecular dynamics (MD) simulations of cell membranes allow for a better understanding of complex processes such as changing membrane dynamics, lipid rafts and the incorporation/passing of macromolecules into/through membranes. To explore and understand cell membrane compositions, dynamics and processes, visual analytics can help to interpret MD simulation data. APL@Voro is a software for the interactive visualisation and analysis of cell membrane simulations. Here, we present the new APL@Voro, which has been continuously developed since its initial release in 2013. We discuss newly implemented algorithms, methodologies and features, such as the interactive comparison of related simulations and methods to assign lipids to either the upper or lower leaflet.</dcterms:abstract>
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