The effects of gas phase on the protein conformation a molecular dynamics study on Eotaxin-3 Cytokine
In the current work, the structure of the enzyme CC chemokine eotaxin-3 (IG2S) was chosen as a case study to investigate the effects of gas phase on the protein conformation using molecular dynamics simulation. Generally, simulating proteins in the gas phase tend to suffer from various drawbacks, am...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
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Faculty of Chemical Engineering & Natural Resources
2008
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| Online Access: | http://eprints.utm.my/8546/1/NBAhmadKhairudin2008_TheEffectsofGasPhase.pdf |
| _version_ | 1796854401516699648 |
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| author | Ahmad Khairudin, N. B. Wahab, H. A. Samian, M. R. Najimudin, N. |
| author_facet | Ahmad Khairudin, N. B. Wahab, H. A. Samian, M. R. Najimudin, N. |
| author_sort | Ahmad Khairudin, N. B. |
| collection | ePrints |
| description | In the current work, the structure of the enzyme CC chemokine eotaxin-3 (IG2S) was chosen as a case study to investigate the effects of gas phase on the protein conformation using molecular dynamics simulation. Generally, simulating proteins in the gas phase tend to suffer from various drawbacks, among which excessive numbers of proteinprotein hydrogen bonds. However, current results showed that the effects of gas phase simulation on IG2S did not amplify the protein-protein hydrogen bonds. It was also found that some of the hydrogen bonds which were crucial in maintaining the secondary structural elements were disrupted. |
| first_indexed | 2024-03-05T18:13:45Z |
| format | Article |
| id | utm.eprints-8546 |
| institution | Universiti Teknologi Malaysia - ePrints |
| language | English |
| last_indexed | 2024-03-05T18:13:45Z |
| publishDate | 2008 |
| publisher | Faculty of Chemical Engineering & Natural Resources |
| record_format | dspace |
| spelling | utm.eprints-85462012-07-24T01:26:30Z http://eprints.utm.my/8546/ The effects of gas phase on the protein conformation a molecular dynamics study on Eotaxin-3 Cytokine Ahmad Khairudin, N. B. Wahab, H. A. Samian, M. R. Najimudin, N. TP Chemical technology In the current work, the structure of the enzyme CC chemokine eotaxin-3 (IG2S) was chosen as a case study to investigate the effects of gas phase on the protein conformation using molecular dynamics simulation. Generally, simulating proteins in the gas phase tend to suffer from various drawbacks, among which excessive numbers of proteinprotein hydrogen bonds. However, current results showed that the effects of gas phase simulation on IG2S did not amplify the protein-protein hydrogen bonds. It was also found that some of the hydrogen bonds which were crucial in maintaining the secondary structural elements were disrupted. Faculty of Chemical Engineering & Natural Resources 2008 Article PeerReviewed application/pdf en http://eprints.utm.my/8546/1/NBAhmadKhairudin2008_TheEffectsofGasPhase.pdf Ahmad Khairudin, N. B. and Wahab, H. A. and Samian, M. R. and Najimudin, N. (2008) The effects of gas phase on the protein conformation a molecular dynamics study on Eotaxin-3 Cytokine. Journal of Chemical and Natural Resources Engineering - Modeling Innovation, 2 (Sp ed.). pp. 18-28. ISSN 1823-5255 http://www.fkkksa.utm.my/jcnre/ |
| spellingShingle | TP Chemical technology Ahmad Khairudin, N. B. Wahab, H. A. Samian, M. R. Najimudin, N. The effects of gas phase on the protein conformation a molecular dynamics study on Eotaxin-3 Cytokine |
| title | The effects of gas phase on the protein conformation a molecular dynamics study on Eotaxin-3 Cytokine
|
| title_full | The effects of gas phase on the protein conformation a molecular dynamics study on Eotaxin-3 Cytokine
|
| title_fullStr | The effects of gas phase on the protein conformation a molecular dynamics study on Eotaxin-3 Cytokine
|
| title_full_unstemmed | The effects of gas phase on the protein conformation a molecular dynamics study on Eotaxin-3 Cytokine
|
| title_short | The effects of gas phase on the protein conformation a molecular dynamics study on Eotaxin-3 Cytokine
|
| title_sort | effects of gas phase on the protein conformation a molecular dynamics study on eotaxin 3 cytokine |
| topic | TP Chemical technology |
| url | http://eprints.utm.my/8546/1/NBAhmadKhairudin2008_TheEffectsofGasPhase.pdf |
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