Manual

FMODB

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

Last updated: 2019-08-29

All entries: 2454

Number of unique PDB entries: 968


Acknowledgements

Construction of FMODB

[1] This research was done in activities of the FMODD consortium.

[2] The results of FMO calculations were partially obtained using the K computer (project IDs: hp150160, hp160103, and hp170183, hp180147).

[3] FMO calculations were done by using several versions of ABINIT-MP software: the public version and commercial version in MIZUHO/BioStation.

[4] This research was partially supported by Platform Project for Supporting Drug Discovery and Life Science Research (Basis for Supporting Innovative Drug Discovery and Life Science Research (BINDS)) from AMED under Grant Number JP18am0101113.

[5] This research was partially supported by JSPS KAKENHI Grant Number JP18K06619.

Data Resources

[1] ChEMBL

A.P. Bento, A. Gaulton, A. Hersey, L.J. Bellis, J. Chambers, M. Davies, F.A. Kr├╝ger, Y. Light, L.

Mak, S. McGlinchey, M. Nowotka, G. Papadatos, R. Santos and J.P. Overington (2014) 'The ChEMBL

bioactivity database: an update.' Nucleic Acids Res., 42 1083-1090.


[2] UniProt

The UniProt Consortium

UniProt: the universal protein knowledgebase

Nucleic Acids Res. 45: D158-D169 (2017)


[3] The Protein Data Bank

Helen M. Berman, John Westbrook, Zukang Feng, Gary Gilliland, T.N.Bhat, Helge Weissig, Ilya N. Shindyalov, Philip E. Bourne

Nucleic Acids Res (2000) 28 (1): 235-242.

Visualization Tools

[1] WebGL protein viewer

© Copyright 2013-2015, Marco Biasini.

Released under the MIT license

https://github.com/biasmv/pv/blob/master/LICENSE.txt


[2] Google Chart

https://developers.google.com/chart/


[3] echo.js

© Copyright 2016 Todd Motto

Released under the MIT license

https://github.com/toddmotto/echo/blob/master/license.


[4] Molecular Operating Environment (MOE) ver. 2018.01

Chemical Computing Group Inc., 1010 Sherbooke St. West, Suite #910, Montreal, QC, Canada, H3A 2R7, 2018.