S. Catak, J. Felix, S.N. Savvides, V. Van Speybroeck, M. Waroquier, E. Pauwels p. 53PosterConference / event / venue Conference on Molecular Simulations in Biosystems and Material Science (SimBioMa)Konstanz, GermanyWednesday, 28 September, 2011 to Saturday, 1 October, 2011