Study of the affinity between the protein kinase PKA and peptide substrates derived from kemptide using molecular dynamics simulations and MM/GBSA

PLoS ONE

Volumn 9, Issue 10, 2014, Pages

  Mena Ulecia, Karel ^a   Vergara Jaque, Ariela ^b   Poblete, Horacio ^b   Tiznado, William ^a   Caballero, Julio ^b  

^a UNIVERSIDAD ANDRÉS BELLO   (Chile)

^b UNIVERSIDAD DE TALCA   (Chile)

Author keywords

[No Author keywords available]

Indexed keywords

CYCLIC AMP DEPENDENT PROTEIN KINASE; KEMPTIDE; OLIGOPEPTIDE; PROTEIN BINDING;

ARTICLE; BINDING AFFINITY; BIOCHEMISTRY; CARBOXY TERMINAL SEQUENCE; CATALYSIS; CONTROLLED STUDY; ENZYME SUBSTRATE COMPLEX; GENE DELETION; GENE MUTATION; MATHEMATICAL COMPUTING; MATHEMATICAL PARAMETERS; MOLECULAR BIOLOGY; MOLECULAR DYNAMICS; MOLECULAR MECHANICS GENERALIZED BORN SURFACE AREA; PHASE TRANSITION; PROTEIN MODIFICATION; SURFACE PROPERTY; ANIMAL; CHEMISTRY; ENZYME SPECIFICITY; METABOLISM; MOUSE; THERMODYNAMICS;

ANIMALS; CYCLIC AMP-DEPENDENT PROTEIN KINASES; MICE; MOLECULAR DYNAMICS SIMULATION; OLIGOPEPTIDES; PROTEIN BINDING; SUBSTRATE SPECIFICITY; THERMODYNAMICS;

EID: 84907485930     PISSN: None     EISSN: 19326203     Source Type: Journal    
DOI: 10.1371/journal.pone.0109639     Document Type: Article

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