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

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Creators: Tarasova, Elvira, Korotkin, Ivan, Farafonov, Vladimir, Karabasov, Sergey and Nerukh, Dmitry
Keywords: All-atom simulation of viruses, hybrid Molecular Dynamics/hydrodynamics, multiscale simulations
Divisions: Engineering and Applied Science > Non-Linearity and Complexity Research Group
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
Data Publisher: Aston University
Date Made Available: 22 March 2017
Collection period:
FromTo
7 January 201617 March 2017
Data Collection and Processing Methods: 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.
Identification Number: https://doi.org/10.17036/researchdata.aston.ac.uk.00000213

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