Karmakar, Tarak ; Balasubramanian, Sundaram (2014) Elucidating the interaction of H 2 O 2 with polar amino acids – Quantum chemical calculations Chemical Physics Letters, 613 . pp. 5-9. ISSN 0009-2614
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Official URL: http://doi.org/10.1016/j.cplett.2014.08.041
Related URL: http://dx.doi.org/10.1016/j.cplett.2014.08.041
Abstract
Quantum chemical calculations have been carried out to investigate the interaction motifs of H2O2 with polar amino acid residues. Binding energies obtained from gas phase and continuum solvent phase calculations range between 2 and 30 kcal/mol. H2O2 interacts with the side chain of polar amino acids chiefly through the formation of hydrogen bonds. The single bondCH group in side chains of a few residues provides additional stabilization to H2O2.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to Elsevier B.V. |
| ID Code: | 129082 |
| Deposited On: | 08 Nov 2022 07:01 |
| Last Modified: | 08 Nov 2022 07:01 |
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