3 papers
physics.bio-ph2007
The aqueous and crystalline forms of L-alanine zwitterion
Ivan Degtyarenko, Karl J. Jalkanen, Andrey A. Gurtovenko +1
The structural properties of L-alanine amino acid in aqueous solution and in crystalline phase have been studied by means of density-functional electronic-structure and molecular d…
cond-mat.soft2005
Molecular Dynamics Study of Charged Dendrimers in Salt-Free Solution: Effect of Counterions
Andrey A. Gurtovenko, Sergey V. Lyulin, Mikko Karttunen +1
Polyamidoamine (PAMAM) dendrimers, being protonated under physiological conditions, represent a promising class of nonviral, nano-sized vectors for drug and gene delivery. We perfo…
cond-mat.soft2003
Cationic DMPC/DMTAP Lipid Bilayers: Molecular Dynamics Study
A. A. Gurtovenko, Michael Patra, Mikko Karttunen +1
Cationic lipid membranes are known to form compact complexes with DNA and to be effective as gene delivery agents both in vitro and in vivo. Here we employ molecular dynamics simul…