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A 200 nanoseconds all-atom simulation of the pH-dependent EF loop transition in bovine ?-lactoglobulin. The role of the orientation of the E89 side chain.

Fenner K, Redgate A, Brancaleon L. A 200 nanoseconds all-atom simulation of the pH-dependent EF loop transition in bovine ?-lactoglobulin. The role of the orientation of the E89 side chain. J Biomol Struct Dyn. 2022 01; 40(1):549-564.

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