| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5381292 | Chemical Physics Letters | 2013 | 5 Pages |
Abstract
Density functional theory methods with the B3LYP functional have been used to study the acidity of carboxylate, O-sulfate and N-sulfate groups in six basic monomeric structural units of heparin (1-OMe ÎUA-2S, 1-OMe GlcN-S6S, 1,4-DiOMe GlcA, 1,4-DiOMe GlcN-S3S6S, 1,4-DiOMe IdoA-2S, and 1,4-DiOMe GlcN-S6S).
Related Topics
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Authors
Milan Remko, Ria Broer, Piet Th. Van Duijnen,