SUBMITTED

Files in ZIP file MD_trajectory-01a.pdb: starting structures of a simulation of apo form (inactive) MD_trajectory-01b.pdb: final structures of a simulation of apo form (inactive) MD_trajectory-02a.pdb: starting structures of a simulation of closed conformation (active) MD_trajectory-02b.pdb: final structures of a simulation of closed conformation (active) MD_trajectory-03a.pdb: starting structures of a simulation of closed conformation in complex with GDP-fucose MD_trajectory-03b.pdb: final structures of a simulation of closed conformation in complex with GDP-fucose MD_trajectory-04a.pdb: starting structures of a simulation of Michaelis complex MD_trajectory-04b.pdb: final structures of a simulation of Michaelis complex QMMM_RE.pdb: REQM QMMM_TS.pdb: TSQM QMMM_PR.pdb: PRQM METADYN_RE.pdb: REmeta METADYN_TS.pdb: TSmeta METADYN_PR.pdb: PRmeta