Metadata
| Creators: | Nerukh, Dmitry, Tarasova, Elvira, Farafonov, Vladimir, Khayat, Reza, Taiji, Makoto, Okimoto, Noriaki and Komatsu, Teruhisa | ||||
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| Divisions: | College of Engineering and Physical Sciences > School of Informatics and Digital Engineering > Mathematics | ||||
| Data Publisher: | Aston University | ||||
| Date Made Available: | 23 November 2016 | ||||
| Collection period: |
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| Data Collection and Processing Methods: | This dataset is the results of Molecular Dynamics simulations of an empty PCV2 virus capsid. It includes eight structures and 10 ns trajectories of MD simulations: four datasets are for capsid without N-termini and four datasets - with N-termini. Each simulation has been performed in two different forcefields (Amber and Gromos) and with different number of ions (correct number and low number of ions). GROMACS packages was used for all simulations. | ||||
| Identification Number: | https://doi.org/10.17036/6e8e1a26-aa8d-4cfc-aed1-551b081cd391 |
Nerukh, Dmitry and Tarasova, Elvira and Farafonov, Vladimir and Khayat, Reza and Taiji, Makoto and Okimoto, Noriaki and Komatsu, Teruhisa (2016) All-atom simulation of PCV2 virus capsid using molecular dynamics in explicit water. [Text] Aston University. Available from: https://doi.org/10.17036/6e8e1a26-aa8d-4cfc-aed1-551b081cd391
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