Thermal denaturation of a coronavirus envelope (CoVE) protein by a coarse-grained Monte Carlo simulation
Thermal response of an envelope protein conformation from coronavirus-2 (CoVE) is studied by a coarse-grained Monte Carlo simulation. Three distinct segments, the N-terminal, Trans-membrane, and C-terminal are verified from its specific contact profile. The radius of gyration (R<sub>g</sub&...
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| Format: | Article |
| Language: | English |
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AIMS Press
2022-11-01
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| Series: | AIMS Biophysics |
| Subjects: | |
| Online Access: | https://www.aimspress.com/article/doi/10.3934/biophy.2022027?viewType=HTML |
| _version_ | 1828070747777531904 |
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| author | Panisak Boonamnaj Pornthep Sompornpisut Piyarat Nimmanpipug R.B. Pandey |
| author_facet | Panisak Boonamnaj Pornthep Sompornpisut Piyarat Nimmanpipug R.B. Pandey |
| author_sort | Panisak Boonamnaj |
| collection | DOAJ |
| description | Thermal response of an envelope protein conformation from coronavirus-2 (CoVE) is studied by a coarse-grained Monte Carlo simulation. Three distinct segments, the N-terminal, Trans-membrane, and C-terminal are verified from its specific contact profile. The radius of gyration (R<sub>g</sub>) reveals a non-monotonic sub-universal thermal response: R<sub>g</sub> decays substantially on heating in native phase under low-temperature regime in contrast to a continuous increase on further raising the temperature prior to its saturation to a random-coil in denature phase. The globularity index which is a measure of effective dimension of the protein, decreases as the protein denatures from a globular to a random-coil conformation. |
| first_indexed | 2024-04-11T00:43:47Z |
| format | Article |
| id | doaj.art-aad1521b5538426ab4e9d0cea14b2d13 |
| institution | Directory Open Access Journal |
| issn | 2377-9098 |
| language | English |
| last_indexed | 2024-04-11T00:43:47Z |
| publishDate | 2022-11-01 |
| publisher | AIMS Press |
| record_format | Article |
| series | AIMS Biophysics |
| spelling | doaj.art-aad1521b5538426ab4e9d0cea14b2d132023-01-06T01:28:10ZengAIMS PressAIMS Biophysics2377-90982022-11-019433034010.3934/biophy.2022027Thermal denaturation of a coronavirus envelope (CoVE) protein by a coarse-grained Monte Carlo simulationPanisak Boonamnaj0Pornthep Sompornpisut1Piyarat Nimmanpipug2R.B. Pandey31. Center of Excellence in Computational Chemistry, Department of Chemistry, Chulalongkorn University, Bangkok 10330, Thailand1. Center of Excellence in Computational Chemistry, Department of Chemistry, Chulalongkorn University, Bangkok 10330, Thailand2. Department of Chemistry and Cluster of Excellence on Biodiversity based Economic and Society (B.BES-CMU), Chiang Mai University, Chiang Mai 50200, Thailand3. School of Mathematics and Natural Sciences, University of Southern Mississippi, Hattiesburg, MS 39406-5043, USAThermal response of an envelope protein conformation from coronavirus-2 (CoVE) is studied by a coarse-grained Monte Carlo simulation. Three distinct segments, the N-terminal, Trans-membrane, and C-terminal are verified from its specific contact profile. The radius of gyration (R<sub>g</sub>) reveals a non-monotonic sub-universal thermal response: R<sub>g</sub> decays substantially on heating in native phase under low-temperature regime in contrast to a continuous increase on further raising the temperature prior to its saturation to a random-coil in denature phase. The globularity index which is a measure of effective dimension of the protein, decreases as the protein denatures from a globular to a random-coil conformation.https://www.aimspress.com/article/doi/10.3934/biophy.2022027?viewType=HTMLenvelope proteincoronaviruscoarse-grained modelmonte carlo simulation |
| spellingShingle | Panisak Boonamnaj Pornthep Sompornpisut Piyarat Nimmanpipug R.B. Pandey Thermal denaturation of a coronavirus envelope (CoVE) protein by a coarse-grained Monte Carlo simulation AIMS Biophysics envelope protein coronavirus coarse-grained model monte carlo simulation |
| title | Thermal denaturation of a coronavirus envelope (CoVE) protein by a coarse-grained Monte Carlo simulation |
| title_full | Thermal denaturation of a coronavirus envelope (CoVE) protein by a coarse-grained Monte Carlo simulation |
| title_fullStr | Thermal denaturation of a coronavirus envelope (CoVE) protein by a coarse-grained Monte Carlo simulation |
| title_full_unstemmed | Thermal denaturation of a coronavirus envelope (CoVE) protein by a coarse-grained Monte Carlo simulation |
| title_short | Thermal denaturation of a coronavirus envelope (CoVE) protein by a coarse-grained Monte Carlo simulation |
| title_sort | thermal denaturation of a coronavirus envelope cove protein by a coarse grained monte carlo simulation |
| topic | envelope protein coronavirus coarse-grained model monte carlo simulation |
| url | https://www.aimspress.com/article/doi/10.3934/biophy.2022027?viewType=HTML |
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