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authortinkavidovic <38259497+tinkavidovic@users.noreply.github.com>2020-03-01 20:01:37 +0100
committerGitHub <noreply@github.com>2020-03-01 20:01:37 +0100
commit84e18d92cde7a533490fa219c70cc408e68f1a15 (patch)
treec15bfa6e33c7400e2acc5c1ea15aa719723f885e
parent7e2e286a01aa7c4c9a1e41320280cec422ce2dcc (diff)
Update README.md
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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