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Molecular Dynamics Simulations of Ligand Binding to Bla g 1. Structural models of Apo-Bla g 1 (a), Bla g 1 loaded with 4 phosphatidylcholine phospholipid cargo (b), or with eight saturated C18 fatty acids (c) obtained through 120 ns molecular dynamics simulation. Structures colour-coded by B-factor values. Cα displacement values for all residues averaged over the last 30 ns of the simulation are shown on the right.
