Structural and dynamics analysis of pyruvate kinase from erythrocytes: implications in pathology

Autor:	Jordà, Luis, Gelpí, Josep Lluís
Jazyk:	angličtina
Rok vydání:	2019
Předmět:	Proteïna quinasa CK2 High performance computing Protein kinase CK2 Protein dynamics Molecular dynamics Pathogenicity prediction Informàtica::Arquitectura de computadors [Àrees temàtiques de la UPC] Pyruvate kinase Càlcul intensiu (Informàtica) Pathogenic variant
Zdroj:	UPCommons. Portal del coneixement obert de la UPC Universitat Politècnica de Catalunya (UPC)
Popis:	Our 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.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=dedup_wf_001::bba756a8011d3f281594f0f151e79331 https://hdl.handle.net/2117/167705 Zobrazit plný text záznamu