The BioFragment Database (BFDb) is an open-data platform for computational chemistry analysis of noncovalent interactions and collects >3000 bifragment contacts directly from biological systems.

Lori A. Burns, John C. Faver, Zheng Zheng, Michael S. Marshall, Daniel G. A. Smith, Kenno Vanommeslaeghe, Alexander D. MacKerell Jr., Kenneth M. Merz Jr., and C. David Sherrill, The BioFragment Database (BFDb): An Open-Data Platform for Computational Chemistry Analysis of Noncovalent Interactions, J. Chem. Phys. 147, 161727 (2017); https://doi.org/10.1063/1.5001028

sherrill@gatech.edu

http://vergil.chemistry.gatech.edu/active_bfdb/bfdb/cgi-bin/bfdb.py

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Researchers should cite this work as follows:

• (2024), "BioFragment Database (BFDb)," https://sciencegateways.org/resources/biofragmentdatabasebfdb.

  BibTex | EndNote

1. BFDb
2. BioFragment
3. computational chemistry data
4. database