Molecular dynamics simulation studies on the positive cooperativity of the kemptide substrate with protein kinase a induced by the ATP ligand

Journal of Physical Chemistry B

Volumn 118, Issue 5, 2014, Pages 1273-1287

  Wang, Yan ^a   Li, Chaoqun ^a   Ma, Na ^a   Wang, Yaru ^a   Chen, Guangju ^a  

^a BEIJING NORMAL UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

ALLOSTERIC COMMUNICATION; ATP-BINDING SITE; CATALYTIC SUBUNITS; DYNAMICS SIMULATION; FREE-ENERGY CALCULATIONS; MOLECULAR DYNAMICS SIMULATIONS; POSITIVE COOPERATIVITY; PROTEIN KINASE A;

AMINO ACIDS; MOLECULAR DYNAMICS;

COMPUTER SIMULATION;

ADENOSINE TRIPHOSPHATE; CYCLIC AMP DEPENDENT PROTEIN KINASE; KEMPTIDE; LIGAND; OLIGOPEPTIDE;

ARTICLE; BINDING SITE; CHEMISTRY; ENZYME ACTIVE SITE; ENZYME SPECIFICITY; HYDROGEN BOND; METABOLISM; MOLECULAR DYNAMICS; PROTEIN BINDING; THERMODYNAMICS;

ADENOSINE TRIPHOSPHATE; BINDING SITES; CATALYTIC DOMAIN; CYCLIC AMP-DEPENDENT PROTEIN KINASES; HYDROGEN BONDING; LIGANDS; MOLECULAR DYNAMICS SIMULATION; OLIGOPEPTIDES; PROTEIN BINDING; SUBSTRATE SPECIFICITY; THERMODYNAMICS;

EID: 84893847867     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp411111g     Document Type: Article

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