the Biofragment Database

A collaboration between the Sherrill Group and the Merz Group to furnish computational chemistry data and analysis tools to the non-covalent interactions research community.

The BioFragment Database (BFDb): An Open-Data Platform for Computational Chemistry Analysis of Noncovalent Interactions

J. Chem. Phys., 147(16) 161727/1–15 (2017) 10.1063/1.5001028

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

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Site Log

Date Activity
13 Sep 2017 Added full BFDb citation and link to SuppMat README describing software download procedures
1 Sep 2017 Moved BFDb link off Sherrill Group website to point here (SSI loaded) rather than Aug 2015 era site (primarily DB4 loaded)
31 Aug 2017 Added "Databases" page for database information guide and XYZ-file downloads