FMODB: The database of quantum mechanical data based on the FMO method
Last updated: 2021-08-03
All entries: 13230
Number of unique PDB entries: 1480
The idea of FMODB was born in discussions among Drs. Teruki Honma (RIKEN; the vice chair of the FMO Drug Discovery Consortium; FMODD), Kaori Fukuzawa (Hoshi University; the chair of FMODD), and Shigenori Tanaka (Kobe University; the executive advisor of FMODD) at the launch of FMODD. After the establishment of FMODD, the Honma Laboratory (RIKEN) led the development of FMODB in cooperation with FMODD.
Among the members of the Honma laboratory, Dr. Teruki Honma provided the basic concept and supervised the development of FMODB.
Drs. Chiduru Watanabe and Daisuke Takaya led the actual work on FMODB construction.
Drs. Daisuke Takaya, Chiduru Watanabe, Kikuko Kamisaka, Hirotomo Moriwaki, and Mr. Shunpei Nagase were involved in the development of registration procedures, database schema, and website design.
Drs. Yoshio Okiyama, Chiduru Watanabe, and Kikuko Kamisaka compiled and listed the protein structures related to drug discovery and corresponding binding affinity/activity values.
Drs. Chiduru Watanabe, Kikuko Kamisaka, Hirotomo Moriwaki, and Mr. Shunpei Nagase performed FMO calculations for diverse proteins, including PDB binds data for the initial registration data of FMODB.
Drs. Daisuke Takaya, Hitomi Yuki, and Tomohiro Sato also provided FMO data for on-going drug discovery targets.
Among the members of the FMODD, Dr. Kaori Fukuzawa provided valuable and important opinions regarding all aspects of the construction of FMODB.
Drs. Tomonaga Ozawa (the vice chair of FMODD) and Midori Kamimura (the executive advisor of FMODD) provided useful advice from the point-of-view of the pharmaceutical industry.
Drs. Shigenori Tanaka, Tatsuya Takagi, Norihito Kawashita, Yoichiro Yagi, Noriyuki Kurita, Ken-ichiro Takaba, and Yoshio Okiyama (working group leaders of FMODD) and working group members have registered FMO data obtained from the working group activities as part of the initial data of FMODB.
Many FMODD members provided valuable feedback on the development of FMODB.
Most of the funding used to build and release the initial version of FMODB came from the budgets of the RIKEN Center for Biosystems Dynamics Research and AMED BINDS.