Complete virus capsid at all-atom resolution: simulations using Molecular Dynamics and hybrid Molecular Dynamics/hydrodynamics methods reveal semipermeable membrane function

  • Elvira Tarasova (Creator)
  • Ivan Korotkin (Creator)
  • Vladimir Farafonov (Creator)
  • Sergey Karabasov (Creator)
  • Dmitry Nerukh (Creator)

Dataset

Description

Collection Method: The characterisation data was obtained by means of nitrogen porosimetry, XRD, XPS, ICP-OES, FT-IR, NH3-TPD, ATR-IR and IGC. The data related to catalytic performance was collected by analysing the reaction mixture either by gas chromatography or using a titration method.

Funding: Engineering and Physical Sciences Research Council (EP/K000616/2, EP/G007594/4, EP/K036548/2, EP/N009924/1)
Date made available22 Mar 2017
PublisherAston Data Explorer
Date of data production7 Jan 2016 - 17 Mar 2017

Research Output

Complete virus capsid at all-atom resolution: simulations using molecular dynamics and hybrid molecular dynamics/hydrodynamics methods reveal semipermeable membrane function

Tarasova, E., Korotkin, I., Farafonov, V., Karabasov, S. & Nerukh, D., 1 Nov 2017, In : Journal of Molecular Liquids. 245, p. 109-114

Research output: Contribution to journalArticle

Open Access
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  • Cite this

    Tarasova, E. (Creator), Korotkin, I. (Creator), Farafonov, V. (Creator), Karabasov, S. (Creator), Nerukh, D. (Creator) (22 Mar 2017). Complete virus capsid at all-atom resolution: simulations using Molecular Dynamics and hybrid Molecular Dynamics/hydrodynamics methods reveal semipermeable membrane function. Aston Data Explorer. 10.17036/researchdata.aston.ac.uk.00000213