FMODB: The World's First Database of Quantum Mechanical Calculations for Biomacromolecules Based on the Fragment Molecular Orbital Method

Daisuke Takaya, Chiduru Watanabe, Shunpei Nagase, Kikuko Kamisaka, Yoshio Okiyama, Hirotomo Moriwaki, Hitomi Yuki, Tomohiro Sato, Noriyuki Kurita, Yoichiro Yagi, Tatsuya Takagi, Norihito Kawashita, Kenichiro Takaba, Tomonaga Ozawa, Midori Takimoto-Kamimura, Shigenori Tanaka, Kaori Fukuzawa, Teruki Honma. FMODB: The World's First Database of Quantum Mechanical Calculations for Biomacromolecules Based on the Fragment Molecular Orbital Method. Journal of Chemical Information and Computer Sciences, 61(2):777-794, 2021. [doi]

@article{TakayaWNKOMYSKY21,
  title = {FMODB: The World's First Database of Quantum Mechanical Calculations for Biomacromolecules Based on the Fragment Molecular Orbital Method},
  author = {Daisuke Takaya and Chiduru Watanabe and Shunpei Nagase and Kikuko Kamisaka and Yoshio Okiyama and Hirotomo Moriwaki and Hitomi Yuki and Tomohiro Sato and Noriyuki Kurita and Yoichiro Yagi and Tatsuya Takagi and Norihito Kawashita and Kenichiro Takaba and Tomonaga Ozawa and Midori Takimoto-Kamimura and Shigenori Tanaka and Kaori Fukuzawa and Teruki Honma},
  year = {2021},
  doi = {10.1021/acs.jcim.0c01062},
  url = {https://doi.org/10.1021/acs.jcim.0c01062},
  researchr = {https://researchr.org/publication/TakayaWNKOMYSKY21},
  cites = {0},
  citedby = {0},
  journal = {Journal of Chemical Information and Computer Sciences},
  volume = {61},
  number = {2},
  pages = {777-794},
}