SB2011 testset

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Revision as of 18:21, 3 December 2010 by Sudipto (talk | contribs)
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Changelog from SB2010 (Work in progress)

  • 1BB6 ligand protonation state was adjusted
  • Boron-containing ligands ?LPR etc will be removed
  • Co-factors are now supported
  • All protocols now use amber 11 instead of 8
  • More families, esp kinases to be added
  • PDB codes corresponding to the published DUD40 and Astex85 will be added