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Glycan Structures Data
The cluster centroids in PDB file format of every glycan in our database in one zipped file!
Molecular Dynamics Simulations Trajectory Data
Our collection of glycan simulation trajectories (Simulations are conducted using the GLYCAM force field2, and either the GROMACS3 or AMBER4 MD packages).
Licence and Attribution
All of the data provided is freely available for academic use under Creative Commons Attribution 4.0 (CC BY-NC-ND 4.0 Deed) licence terms. Please contact us at elisa.fadda@soton.ac.uk for Commercial licence. If you use this resource, please cite the following papers:
Ives, C.M., Singh, O. et al. Restoring protein glycosylation with GlycoShape. Nat Methods (2024).
The structures provided in this resource are generated with in-silico standards and should be interpreted carefully.