All-atom simulation of PCV2 virus capsid using molecular dynamics in explicit water

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. [Data Collection] (Unpublished)

Collection Method

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.

Metadata

Type of Data: Text
Divisions: Engineering and Applied Science > Non-Linearity and Complexity Research Group
Data Publisher: Aston University
Date Made Available: 23 November 2016
Collection period:
FromTo
1 December 201420 November 2016
Identification Number: 10.17036/6e8e1a26-aa8d-4cfc-aed1-551b081cd391
Publication URL: http://publications.aston.ac.uk/29933/

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