Evaluation of Electronic and Geometrical Properties of the Blue Copper Site in Fully Solvated Azurin by QM/MM Hybrid Calculations Using a New Interface Program Connecting QM and MM Engines

T. Ohta, Y. Hagiwara, J. Kang, K. Nishikawa, T. Yamamoto, H. Nagao, M. Tateno

Journal of Computational and Theoretical Nanoscience

2009-12

6

12

2648

ENG

2655

原著論文