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dc.contributor.authorJordà, Luis
dc.contributor.authorGelpí, Josep Lluís
dc.identifier.citationJordà, L.; Gelpí, J. L. Structural and dynamics analysis of pyruvate kinase from erythrocytes: implications in pathology. A: BSC Severo Ochoa International Doctoral Symposium (6th: 2019: Barcelona). "Book of abstracts". Barcelona: Barcelona Supercomputing Center, 2019, p. 44-45.
dc.description.abstractOur current study revolves around the dynamic characterization of the human erythrocyte pyruvate kinase (RPYK). The deficiency of this protein is a common cause of nonspherocytic hemolytic anemia, a rare, autosomal recessive disease. We plan to perform a comprehensive set of molecular dynamics simulations of both the wildtype (WT) and mutant variants of R-PYK in different conditions, in order to explore the dynamic behavior of the enzyme, describe the function and allosteric mechanism in terms of its dynamics fingerprint and identify altered dynamic behavior of the known pathogenic variants of the enzyme.
dc.format.extent2 p.
dc.publisherBarcelona Supercomputing Center
dc.rightsAttribution-NonCommercial-NoDerivs 3.0 Spain
dc.subjectÀrees temàtiques de la UPC::Informàtica::Arquitectura de computadors
dc.subject.lcshHigh performance computing
dc.subject.lcshProtein kinase CK2
dc.subject.lcshPyruvate kinase
dc.subject.otherPathogenicity prediction
dc.subject.otherPathogenic variant
dc.subject.otherProtein dynamics
dc.subject.otherMolecular dynamics
dc.subject.otherPyruvate kinase
dc.titleStructural and dynamics analysis of pyruvate kinase from erythrocytes: implications in pathology
dc.typeConference report
dc.subject.lemacCàlcul intensiu (Informàtica)
dc.subject.lemacProteïna quinasa CK2
dc.rights.accessOpen Access
local.citation.contributorBSC Severo Ochoa International Doctoral Symposium (6th: 2019: Barcelona)
local.citation.publicationNameBook of abstracts

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