Martini 2.2 N-Glycans

Topologies for Martini 2.2 glycans are available for download here, courtesy of César López Bautista and co-workers. See the publication for more information.



Common mono- and disaccharides, and amylose.




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).