Browsing by Author "Antila, Hanne S."

Now showing 1 - 3 of 3

Chemistry specificity of DNA-polycation complex salt response: A simulation study of DNA, polylysine and polyethyleneimine
(2015) Antila, Hanne S.; Härkönen, M.; Sammalkorpi, Maria
A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä
Ewald electrostatics for mixtures of point and continuous line charge
(2015) Antila, Hanne S.; Van Tassel, P.R.; Sammalkorpi, Maria
A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä
Interaction modes between asymmetrically and oppositely charged rods
(2016) Antila, Hanne S.; Van Tassel, Paul R.; Sammalkorpi, Maria
A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä
The interaction of oppositely and asymmetrically charged rods in salt - a simple model of (bio)macromolecular assembly - is observed via simulation to exhibit two free energy minima, separated by a repulsive barrier. In contrast to similar minima in the Derjaguin-Landau-Verwey-Overbeek (DLVO) theory, the governing mechanism includes electrostatic attraction at large separation, osmotic repulsion at close range, and depletion attraction near contact. A model accounting for ion condensation and excluded volume is shown to be superior to a mean-field treatment in predicting the effect of charge asymmetry on the free-energy profile.