Polyphilic Interactions as Structural Driving Force Investigated by Molecular Dynamics Simulation (Project 7)
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DOI: 10.3390/polym9090445
Abstract: We investigated the effect of fluorinated molecules on dipalmitoylphosphatidylcholine (DPPC) bilayers by force-field molecular dynamics simulations. In the first step, we developed all-atom force-field parameters for additive molecules in membranes to enable an accurate description… read more here.
Keywords: force field; molecular dynamics; interactions structural; polyphilic interactions ... See more keywords