Incorporation of solvation effects into the fragment molecular orbital calculations with the Poisson-Boltzmann equation

► In the study reported in the manuscript, we developed a new quantum chemical method for large biomolecules in solution by combining the fragment molecular orbital method and the Poisson-Boltzmann equation. ► We discussed our method in the light of accuracy, computational time and applicability to realistic systems. ► Through some test calculations, we concluded that our new method is promising for energetic analysis of large biomolecules in solution.