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

Tarasova, Elvira and Korotkin, Ivan and Farafonov, Vladimir and Karabasov, Sergey and Nerukh, Dmitry (2017) Complete virus capsid at all-atom resolution: simulations using Molecular Dynamics and hybrid Molecular Dynamics/hydrodynamics methods reveal semipermeable membrane function. [Data Collection]

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.

Metadata

Type of Data: Dataset
Divisions: Engineering and Applied Science > Non-Linearity and Complexity Research Group
Data Publisher: Aston University
Funders: Engineering and Physical Sciences Research Council
Projects: Tuning Catalyst Surfaces to Control Aldol Reactions in Biomass Conversion, Nanoengineered Materials for Clean Catalytic Technologies, Development of fast pyrolysis based advanced biofuel technologies for biofuels, Low carbon jet fuel through integration of novel technologies for co-valorisation of CO2 and biomass
Grant number: EP/K000616/2, EP/G007594/4, EP/K036548/2, EP/N009924/1
Keywords: All-atom simulation of viruses, hybrid Molecular Dynamics/hydrodynamics, multiscale simulations
Statement on legal, ethical and access issues: There are no legal, ethical or access issues regarding this dataset.
Date Made Available: 22 March 2017
Collection period:
FromTo
7 January 201617 March 2017
Identification Number: 10.17036/researchdata.aston.ac.uk.00000213
Publication URL: http://publications.aston.ac.uk/31212/

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