Manual

FMODB

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

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All entries:

Number of unique PDB entries:


Policies

Citation Policies

References and Examples

  1. Cite a 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. 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)

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.