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.