Improved Umbrella Visualization implemented in UnityMol gives valuable insight on sugar/protein interplay

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dc.contributor.authorBesançon, Camilleen_US
dc.contributor.authorWong, Huaen_US
dc.contributor.authorRao, Rajasen_US
dc.contributor.authorDauchez, Manuelen_US
dc.contributor.authorBelloy, Nicolasen_US
dc.contributor.authorPrévoteau-Jonquet, Jessicaen_US
dc.contributor.authorBaud, Stéphanieen_US
dc.contributor.editorByška, Jan and Krone, Michael and Sommer, Björnen_US
dc.date.accessioned2020-05-24T13:29:45Z
dc.date.available2020-05-24T13:29:45Z
dc.date.issued2020
dc.description.abstractAmong the various post-translational modifications, N-glycosylations are particularly important. They are linked to asparagine residues and their function as well as the one of the protein can be altered by modifications such as sialic acid hydrolysis. Since in vitro studies of N-glycans can be a challenging process (glycosylation chains have a great diversity and contain many reactive groups), in silico characterization using molecular dynamics simulation seems to be a good tool capable of overcoming experimental shortcomings thanks to exhaustive conformational samplings. In this paper, the Umbrella Visualization, a recent implementation into the molecular viewer UnityMol, is presented. This new and original visualization method is offering the possibility to follow and decipher the dynamics of very flexible sugar chains and enable the identification of the protein surface covered and potentially impacted by glycans. The latest module, described here and integrated within the Umbrella Visualization, complements the original statistical approach and allows for a meaningful description of glycan/protein interplay by combining, with shadow mapping, labelling, and hydrophobic properties of the surrounding aminoacids.en_US
dc.description.sectionheadersSession 2
dc.description.seriesinformationWorkshop on Molecular Graphics and Visual Analysis of Molecular Data
dc.identifier.doi10.2312/molva.20201097
dc.identifier.isbn978-3-03868-114-4
dc.identifier.pages17-21
dc.identifier.urihttps://doi.org/10.2312/molva.20201097
dc.identifier.urihttps://diglib.eg.org:443/handle/10.2312/molva20201097
dc.publisherThe Eurographics Associationen_US
dc.rightsAttribution 4.0 International License
dc.rights.urihttps://creativecommons.org/licenses/by/4.0/]
dc.subjectComputing methodologies
dc.subjectGraphics file formats
dc.subjectScientific visualization
dc.subjectModeling methodologies
dc.subjectTexturing
dc.titleImproved Umbrella Visualization implemented in UnityMol gives valuable insight on sugar/protein interplayen_US
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MolVa: Workshop on Molecular Graphics and Visual Analysis of Molecular Data 2020