Supporting Information for "Enzyme adaptation to habitat thermal legacy shapes the thermal plasticity of marine microbiomes"

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dc.contributor.authorNutschel, Christina
dc.contributor.authorPfleger, Christopher
dc.contributor.authorDittrich, Jonas
dc.contributor.authorGohlke, Holger
dc.date.accessioned2023-01-24T21:19:02Z
dc.date.available2023-01-24T21:19:02Z
dc.date.issued2023-01
dc.description.abstractThe dataset contains: I. 3D structural models of esterases generated by a AlphaFold2-based workflow of ColabFold, II. predicted catalytic triads of esterases and their substrate accessibilities analyzed by CAVER 3.0.3 PyMOL Plugin, III. input and output files for molecular dynamics (MD) simulations performed by Amber21, and, IV. Tp-values of esterases predicted by Constraint Network Analysis (CNA). We added template scripts and a readme file for further explanations.en_US
dc.identifier.urihttps://researchdata.hhu.de/handle/123456789/131
dc.identifier.urihttp://dx.doi.org/10.25838/d5p-42
dc.language.isoenen_US
dc.publisherN/Aen_US
dc.rightsAttribution-NonCommercial-NoDerivs 3.0 United States*
dc.rights.urihttp://creativecommons.org/licenses/by-nc-nd/3.0/us/*
dc.subjectProtein structure modelen_US
dc.subjectMD simulationsen_US
dc.subjectConstraint Network Analysisen_US
dc.subjectEsterasesen_US
dc.titleSupporting Information for "Enzyme adaptation to habitat thermal legacy shapes the thermal plasticity of marine microbiomes"en_US
dc.typeDataseten_US

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