Research field (5):
Software
, Bio-, chemical, and soft-matter physics
, Biophysics
, High-performance computing
, Inorganic and coordination chemistry
Research keywords (5):
computer chemistry
, quantum chemistry
, protein
, HPC
, parallel programing
Research theme for competitive and other funds (7):
2017 - 2020 Expansion of Protein Electronic Structure DB System
2015 - 2018 Development of the third generation density functional calculation method and study of Born-Oppenheimer molecular dynamics method on protein
2015 - 2017 Construction of Electronic Structure Database of Proteins
2013 - 2015 Study of Auto Quantum Chemical Calculation Method and Electron Structure Database for Proteins
2005 - タンパク質のための量子化学計算
ニトロシル配位子を有する金属錯体の合成・物性
Synthesis and Properties of Complexes with Nitrosyl Ligand
Toshiyuki Hirano, Fumitoshi Sato. Study of high-performance canonical molecular orbitals calculation for proteins. AIP Conference Proceedings. 2017. 1906
Takashi Tamura, Naoki Tsunekawa, Michiko Nemoto, Kenji Inagaki, Toshiyuki Hirano, Fumitoshi Sato. Molecular evolution of gas cavity in [NiFeSe] hydrogenases resurrected in silico. SCIENTIFIC REPORTS. 2016. 6. 19742
Hirano Toshiyuki, Sato Fumitoshi. Computation and properties of atomic charges based on the penalized regression model in proteins. Proceedings of the Symposium on Chemoinformatics. 2016. 2016. P8