Sugars

Common mono- and disaccharides, and amylose.

martini_v2.0_sugars.itp

 

 

Beta-cyclodextrin, Dimethyl-cyclodextrin and Hydroxypropyl-cyclodextrin

The user needs to incorporate a new bead type in the case of beta cyclodextrin which is included in the martini_v2.1_pc.itp included in the package. Beta cyclodextrin is represented as a dimer, since it is the most populated type in solution. However it can be easily transformed into a monomer if necessary.

When using this model please cite:

López, C. A., de Vries, A. H., & Marrink, S. J. Computational microscopy of cyclodextrin mediated cholesterol extraction from lipid model membranes. Scientific Reports, 3, 2071 (2013). http://doi.org/10.1038/srep02071

cyclodextrin.tgz