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1 files changed, 1 insertions, 1 deletions
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@@ -5,7 +5,7 @@ competition_result(1) is main fail with results were all the method is described
6lu7cov.pdb is pdb structure of coronavirus protease without small molecule or drug that was bind to this protease
-ChEBI_28572.sdf is sdf file of rescinnamine used for Pyrx docking
+ChEBI_28572.sdf is sdf file of rescinnamine used for Pyrx docking (Vina search space set to maximum)
rescinnamine_binding_affinities_pyrx.sdf and rescinnamine_pyrx_binding_affinity.csv are results of binding affinity energy between