Molecular Mechanics Study of the Protein

Jan 20, 2010 - Mechanics/Molecular Mechanics Study of the ProteinrLigand. Interaction of Two Potent Inhibitors of Human O-GlcNAcase: PUGNAc and NAG- ...
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2090

J. Phys. Chem. B 2010, 114, 2090

2008, Volume 112B Jeronimo Lameira, Cla´udio Nahum Alves,* Vicent Moliner,* Sergio Martı´, Natalia Kanaan, and In˜aki Tun˜o´n: A Quantum Mechanics/Molecular Mechanics Study of the Protein-Ligand Interaction of Two Potent Inhibitors of Human O-GlcNAcase: PUGNAc and NAG-Thiazoline Page 14260. In Table 1, the values for the B and D forms are exchanged. In the penultimate paragraph, we erroneously named NAG-thiazoline-enzyme B and PUGNAc-enzyme D instead of PUGNAc-enzyme B and NAG-thiazoline-enzyme D. These corrections have no bearing on any of our results or conclusions. 10.1021/jp912010a Published on Web 01/20/2010