READ ME File For 'Eilish McBurnie PhD Thesis MetaData'

Dataset DOI: 10.5258/SOTON/D1791

ReadMe Author: Eilish McBurnie, University of Southampton 0000-0003-3251-9416
This dataset supports the thesis entitled Molecular Dynamics Simulations of Complex Bacterial Membranes
AWARDED BY: Univeristy of Southampton
DATE OF AWARD: [2021]

DESCRIPTION OF THE DATA
These data were collected primarily via molecular dynamics simulations using GROMACS 2018 - this would be required to examine or reproduce these data. The work examined simulations of complex bacterial membranes and bacterial membrane components in both atomistic and coarse-grained resolution. Visualisation would require VMD as used in this work. 

This dataset contains:
Chapter3_DataSet_DPPC_ModelMembrane
Chapter3_DataSet_Micelle_Solvent
Chapter3_DataSet_5Dapt_Saureus
Chapter3_DataSet_Micelle_w_Membrane
Chapter4_Dataset_Chlor_Membrane
Chapter4_Dataset_Chlor_Solvent
Chapter5_DataSet_GROvCHARMM_Chlor_Eq
Chapter5_DataSet_GROvCHARMM_Chlor_Electroporation
Chapter6_DataSet_LPS_PGN_LTA_TCP


Date of data collection: 1st October 2016 - 1st October 2020


Licence:
CC-BY

Related projects/Funders:
Engineering and Physical Sciences Research Council - 1793906




Date that the file was created: March, 2021

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