Projector-Based Embedding Eliminates Density Functional Dependence for QM/MM Calculations of Reactions in Enzymes and Solution.
Kara E. RanaghanDarya ShchepanovskaSimon J. BennieNarin LawanStephen J. MacraeJolanta ZurekFrederick R. ManbyAdrian J. MulhollandPublished in: J. Chem. Inf. Model. (2019)