Research Output per year
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.
|Date made available||23 Nov 2016|
|Publisher||Aston Data Explorer|
|Date of data production||1 Dec 2014 - 20 Nov 2016|
All-atom molecular dynamics simulations of entire virus capsid reveal the role of ion distribution in capsid’s stabilityTarasova, E., Farafonov, V., Khayat, R., Okimoto, N., Komatsu, T., Taiji, M. & Nerukh, D., 27 Jan 2017, In : Journal of Physical Chemistry Letters. 8, 4, p. 779-784 5 p.
Research output: Contribution to journal › Letter
Nerukh, D. (Creator), Tarasova, E. (Creator), Farafonov, V. (Creator), Khayat, R. (Creator), Taiji, M. (Creator), Okimoto, N. (Creator), Komatsu, T. (Creator) (23 Nov 2016). All-atom simulation of PCV2 virus capsid using molecular dynamics in explicit water. Aston Data Explorer. 10.17036/6e8e1a26-aa8d-4cfc-aed1-551b081cd391