Fumitoshi Sato, Professor

Proteins are intricate molecules working efficiently with a minimal amount of energy. The remarkable functions of proteins are inseparable from their large-scale and complex structures. The straightforward approach for explaining and predicting the essence of the protein functions is the analysis of the reaction mechanisms using quantum chemistry based on the entire molecular structure. Our group is investigating and developing simulation systems using ProteinDF/QCLO, an all-electron calculation program for proteins based on the density functional theory (DFT) that succeeded in developing the 3rd generation algorithm for supercomputers. We aim at designing new enzymes and nanomaterials for industrial and societal use by combining various simulation methods and original software.