This Dataverse includes trajectory files from molecular dynamics simulations that were produced by the author during his Ph.D. studies at the University of Western Ontario (2013–2018). The datasets correspond to the molecular simulations of polyethylene glycol and nucleic acids-ion interactions in charged droplets.
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1 to 3 of 3 Results
Jun 1, 2019
Sharawy, Mahmoud, 2019, "Characterization of 'Star' Droplet Morphologies Induced by Charged Macromolecules", https://doi.org/10.5683/SP2/VL2TNX, Borealis, V1
This dataset includes trajectory files from molecular dynamics simulations corresponding to studies on the 'star' morphologies of charged droplets that comprise a DNA duplex.
Jun 1, 2019
Sharawy, Mahmoud, 2019, "How Do Non-Covalent Complexes Dissociate in Droplets? A Case Study of the Desolvation of dsDNA from a Charged Aqueous Nanodrop.", https://doi.org/10.5683/SP2/ZWBXBV, Borealis, V1
This dataset includes trajectory files from molecular dynamics simulations corresponding to studies investigated the stability of a dsDNA complex in charged droplets.
May 31, 2019
Sharawy, Mahmoud, 2019, "Effect of counterions on the charging mechanisms of a macromolecule in aqueous nanodrops", https://doi.org/10.5683/SP2/DYJKGC, Borealis, V1
This dataset includes trajectory files of the molecular dynamics simulations of a polyethylene glycol molecule (PEG64) in charged droplets.
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