[Dock-fans] DOCK news: SB2010 database release

Sudipto Mukherjee sudmukh at yahoo.com
Mon Nov 22 13:03:11 PST 2010


Dear DOCK Users and Fans,

The Stony Brook team has recently published a database, termed SB2010,
aimed at helping users assess pose reproduction and docking accuracy.
Testing and validation was done in conjunction with the recent release
of DOCK6.4.

This community resource consists of 780 PDB-derived complexes and is
partitioned based on number of ligand rotatable bonds and protein
families.  Please see "Docking Validation Resources: Protein Family
and Ligand Flexibility Experiments" for more details which is
available at http://pubs.acs.org/doi/abs/10.1021/ci1001982

The entire database and accompanying input files for DOCK6.4 are
available for download at http://rizzolab.org (go to downloads).

Please do not hesitate to contact us with any feedback or comments.

Sincerely,

Sudipto Mukherjee
Trent Balius
Rob Rizzo
Stony Brook DOCK team


      
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