Modeling the Role of a Flexible Loop and Active Site Side Chains in Hydride Transfer Catalyzed by Glycerol-3-phosphate Dehydrogenase - Mhashal, Anil R; Romero-Rivera, Adrian; Mydy, Lisa S; Cristobal, Judith R; Gulick, Andrew M; Richard, John P; Kamerlin, Shina C. L (ACS catalysis, 2020)
Keywords: empirical valence bond; glycerol-3-phosphate dehydrogenase; Hamiltonian replica exchange; loop dynamics; transition state stabilization; glycerol-3-phosphate dehydrogenase; Hamiltonian replica exchange; transition state stabilization; loop dynamics; empirical valence bond