From 84e18d92cde7a533490fa219c70cc408e68f1a15 Mon Sep 17 00:00:00 2001 From: tinkavidovic <38259497+tinkavidovic@users.noreply.github.com> Date: Sun, 1 Mar 2020 20:01:37 +0100 Subject: Update README.md --- README.md | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/README.md b/README.md index d5fe0c4..dc53c4a 100644 --- a/README.md +++ b/README.md @@ -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 -- cgit v1.2.3