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4_Prod.inDownload
final.1.ncrstDownload
holo2_transB_solv.prmtopDownload
4_Prod.ncrst.0Download
4_Prod.nc.0Download
output.cmlDownload
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Manuscript title: Engineering Excitonically-Coupled Dimers in an Artificial Protein for Light Harvesting via Computational Modelling

Journal: Protein Sci.

DOI: 10.1002/pro.4579

Full metadata record
DC FieldValueLanguage
dc.contributor.authorCurti, Mariano-
dc.coverage.spatialES Barcelona-
dc.date.accessioned2023-02-01T08:35:23Z-
dc.date.available2023-02-01T08:35:23Z-
dc.date.created2023-02-01T09:35:02.253+01:00-
dc.date.issued2023-02-01T09:35:02.253+01:00-
dc.identifier.urihttps://iochem-bd.bsc.es/browse/handle/100/271348-
dc.descriptionMD for Holo2transB, 0-100 ns-
dc.publisherICIQ-
dc.relationOriginal title: Engineering Excitonically-Coupled Dimers in an Artificial Protein for Light Harvesting via Computational Modelling DOI: 10.1002/pro.4579 Journal: Protein Sci.-
dc.relation.urihttp://dx.doi.org/10.1002/pro.4579-
dc.rightsCC BY 4.0 (c) Barcelona Supercomputing Center, 2023-
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/-
dc.subjectEnergy transfer-
dc.subjectCircular dichroism-
dc.subjectExcitonic coupling-
dc.subjectMolecular dynamics-
dc.titleHolo2transB_0-
dc.typedataset-
dc.date.updated2023-02-01T08:35:21Z-
cml.program.nameAmberen
cml.program.version18en
cml.energy.value-169.98382172927998en
cml.energy.unitsEhen
cml.formula.genericC721H1036N184O230Zn2en
cml.calculationtypeMolecular Dynamicsen
cml.hassolventtrueen
cml.hasvibrationalfrequenciesfalseen
cml.numberofjobs1en
cml.hasmolecularorbitalsfalseen
Appears in Collections:Protein_redesign_for_light_harvesting - DOI: 10.19061/iochem-bd-1-240

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Please use this identifier to cite or link to this item: https://iochem-bd.bsc.es/browse/handle/100/271348

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