FMODB

FMODB: The database of quantum mechanical data based on the FMO method

Last updated: 2024-05-02

All entries: 37386

Number of unique PDB entries: 7781


Policies

Citation Policies

References and Examples

  1. Cite an FMO calculation data entry using its FMODB ID. For example:
  2. FMODB ID: XVQQ1

  3. FMODB should be referenced with the [URL] https://drugdesign.riken.jp/FMODB/ and the following citation:

  4. If you introduce FMODB itself, the web interface, or register FMODB data, please cite the following paper [1].

    [1] 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, and 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 Modeling 2021 61 (2), 777-794 https://doi.org/10.1021/acs.jcim.0c01062

    If you have made secondary use of FMODB data, surveyed FMO data collection, or used the Auto-FMO protocol, please cite the following paper [2] in addition to the above paper [1].

    [2] Chiduru Watanabe, Hirofumi Watanabe, Yoshio Okiyama, Daisuke Takaya, Kaori Fukuzawa, Shigenori Tanaka, and Teruki Honma, Development of an automated fragment molecular orbital (FMO) calculation protocol toward construction of quantum mechanical calculation database for large biomolecules. Chem-Bio Informatics Journal, 19, 5-18, 2019. (Accepted at 2019/2/18) https://doi.org/10.1273/cbij.19.5

Usage Policies

All FMO calculation data and illustrations are available under CC BY-SA 4.0 license, except for screenshots of "Ligand Interaction” and “Ligand structure” made by MOE software.

Please contact us if you use these illustrations.


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