Thermodynamic study of asparagine and glycyl-asparagine using computational methods
This work aimed to develop an ab initio procedure for accurately calculating pKa values and applied it to study the acidity of asparagine and glycyl-asparagine. DFT methods with B3LYP composed by 6-31+G(d) basis set were applied for calculating the acidic dissociation constant of asparagine and glyc...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
Instituto de Tecnologia do Paraná (Tecpar)
2015-06-01
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| Series: | Brazilian Archives of Biology and Technology |
| Subjects: | |
| Online Access: | http://www.scielo.br/scielo.php?script=sci_arttext&pid=S1516-89132015000300477&lng=en&tlng=en |