Predicting the open conformations of protein kinases using molecular dynamics simulations

Biopolymers

Volumn 97, Issue 1, 2012, Pages 65-72

  Bjarnadottir, Una ^a   Nielsen, Jens Erik ^a  

^a UNIVERSITY COLLEGE DUBLIN   (Ireland)

Author keywords

activation process; conformational change; molecular dynamics; protein dynamics; protein kinase

Indexed keywords

ACTIVATION PROCESS; ATP-BINDING; CATALYTIC DOMAINS; CELL-CYCLE PROGRESSION; CONFORMATIONAL CHANGE; DOCKING CALCULATIONS; DRUG DESIGN; DRUG TARGETS; EUKARYOTIC CELLS; MD SIMULATION; METABOLIC PATHWAYS; MOLECULAR DYNAMICS SIMULATIONS; OPEN CONFORMATION; OPEN STRUCTURE; PROTEIN DYNAMICS; PROTEIN KINASE; PROTEIN KINASE A; ROOT MEAN SQUARE DEVIATIONS; SEQUENCE IDENTITY; SMALL-MOLECULE DRUGS; SUBSTRATE BINDING; TARGET-SUBSTRATE;

CELL DEATH; DYNAMICS; ENZYMES; MOLECULAR DYNAMICS; PHOSPHORYLATION; PROTEINS;

CONFORMATIONS;

PROTEIN KINASE C;

ARTICLE; CARBOXY TERMINAL SEQUENCE; CATALYSIS; CONFORMATIONAL TRANSITION; ENZYME PHOSPHORYLATION; MOLECULAR DYNAMICS; PROTEIN CONFORMATION;

ADENOSINE TRIPHOSPHATE; CATALYTIC DOMAIN; COMPUTATIONAL BIOLOGY; CRYSTALLOGRAPHY, X-RAY; FORECASTING; HUMANS; LIGANDS; MAGNESIUM; MODELS, MOLECULAR; MOLECULAR DYNAMICS SIMULATION; MOLECULAR STRUCTURE; PROTEIN BINDING; PROTEIN CONFORMATION; PROTEIN FOLDING; PROTEIN KINASES; TERMINOLOGY AS TOPIC;

EUKARYOTA;

EID: 80055041768     PISSN: 00063525     EISSN: 10970282     Source Type: Journal    
DOI: 10.1002/bip.21704     Document Type: Article

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