Browsing Tampereen teknillinen yliopisto by Author "Gurtovenko, Andrey A."

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Calculation of the electrostatic potential of lipid bilayers from molecular dynamics simulations: Methodological issues

Gurtovenko, Andrey A.; Vattulainen, Ilpo (2009)

The electrostatic properties of lipid membranes are of profound importance as they are directly associated with membrane potential and, consequently, with numerous membrane-mediated biological phenomena. Here we address a ...
Molecular dynamics study of charged dendrimers in salt-free solution: Effect of counterions

Gurtovenko, Andrey A.; Lyulin, Sergey V.; Karttunen, Mikko; Vattulainen, Ilpo (2006)

Polyamidoamine dendrimers, being protonated under physiological conditions, represent a promising class of nonviral, nanosized vectors for drug and gene delivery. We performed extensive molecular dynamics simulations of a ...

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