A quantum mechanics/molecular mechanics study of the protein-ligand interaction of two potent inhibitors of human O-GlcNAcase: PUGNAc and NAG-thiazoline

Journal of Physical Chemistry B

Volumn 112, Issue 45, 2008, Pages 14260-14266

  Lameira, Jeronimo ^a,b   Alves, Cláudio Nahum ^a   Moliner, Vicent ^b   Martí, Sergio ^b   Kanaan, Natalia ^b   Tuñón, Iñaki ^c  

^a FEDERAL UNIVERSITY OF PARÁ   (Brazil)

^b UNIVERSITAT JAUME I   (Spain)

^c UNIVERSITY OF VALENCIA   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

FLOW INTERACTIONS; MECHANICS; MOLECULAR DYNAMICS; MOLECULAR MECHANICS; PROTEINS; QUANTUM CHEMISTRY; SUGAR (SUCROSE); THREE DIMENSIONAL;

ACETAMIDO; ALZHEIMER'S DISEASES; DIMENSIONAL STRUCTURES; GLUCOPYRANOSE; INHIBITORY ACTIVITIES; INTRACELLULAR PROTEINS; MODIFIED PROTEINS; MOLECULAR DYNAMICS SIMULATIONS; POTENT INHIBITORS; PROTEIN-LIGAND INTERACTIONS; TYPE II;

DYNAMICS;

EID: 57049144808     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp804626j     Document Type: Article

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