DFT Modelling of Tripeptides (Lysine-Tryptophan-Lysine) Interacting with Single Walled Carbon Nanotubes
Model calculations are performed to predict the nature of interaction between SWNT and a tripeptide (Lys-Trp-Lys) and to calculate the binding energies and charge transfer between these two species using density functional theory. DFT calculations indicate that the interaction is of a non covalent n...
Saved in:
| Main Author: | |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
Wiley
2010-01-01
|
| Series: | E-Journal of Chemistry |
| Online Access: | http://dx.doi.org/10.1155/2010/547219 |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
| _version_ | 1841524601198215168 |
|---|---|
| author | Navaratnarajah Kuganathan |
| author_facet | Navaratnarajah Kuganathan |
| author_sort | Navaratnarajah Kuganathan |
| collection | DOAJ |
| description | Model calculations are performed to predict the nature of interaction between SWNT and a tripeptide (Lys-Trp-Lys) and to calculate the binding energies and charge transfer between these two species using density functional theory. DFT calculations indicate that the interaction is of a non covalent nature. Minimal charge transfer is observed between SWNT and Lys-Trp-Lys. |
| format | Article |
| id | doaj-art-114a28b288224815a9e2c4c1f9433132 |
| institution | Kabale University |
| issn | 0973-4945 2090-9810 |
| language | English |
| publishDate | 2010-01-01 |
| publisher | Wiley |
| record_format | Article |
| series | E-Journal of Chemistry |
| spelling | doaj-art-114a28b288224815a9e2c4c1f94331322025-02-03T05:47:42ZengWileyE-Journal of Chemistry0973-49452090-98102010-01-017387087410.1155/2010/547219DFT Modelling of Tripeptides (Lysine-Tryptophan-Lysine) Interacting with Single Walled Carbon NanotubesNavaratnarajah Kuganathan0Department of Chemistry, University of Bath, Bath, BA2 7AY, England, UKModel calculations are performed to predict the nature of interaction between SWNT and a tripeptide (Lys-Trp-Lys) and to calculate the binding energies and charge transfer between these two species using density functional theory. DFT calculations indicate that the interaction is of a non covalent nature. Minimal charge transfer is observed between SWNT and Lys-Trp-Lys.http://dx.doi.org/10.1155/2010/547219 |
| spellingShingle | Navaratnarajah Kuganathan DFT Modelling of Tripeptides (Lysine-Tryptophan-Lysine) Interacting with Single Walled Carbon Nanotubes E-Journal of Chemistry |
| title | DFT Modelling of Tripeptides (Lysine-Tryptophan-Lysine) Interacting with Single Walled Carbon Nanotubes |
| title_full | DFT Modelling of Tripeptides (Lysine-Tryptophan-Lysine) Interacting with Single Walled Carbon Nanotubes |
| title_fullStr | DFT Modelling of Tripeptides (Lysine-Tryptophan-Lysine) Interacting with Single Walled Carbon Nanotubes |
| title_full_unstemmed | DFT Modelling of Tripeptides (Lysine-Tryptophan-Lysine) Interacting with Single Walled Carbon Nanotubes |
| title_short | DFT Modelling of Tripeptides (Lysine-Tryptophan-Lysine) Interacting with Single Walled Carbon Nanotubes |
| title_sort | dft modelling of tripeptides lysine tryptophan lysine interacting with single walled carbon nanotubes |
| url | http://dx.doi.org/10.1155/2010/547219 |
| work_keys_str_mv | AT navaratnarajahkuganathan dftmodellingoftripeptideslysinetryptophanlysineinteractingwithsinglewalledcarbonnanotubes |