From 3c5ad9856d9f46b8a0c3bbc46457befea643ef42 Mon Sep 17 00:00:00 2001 From: tinkavidovic <38259497+tinkavidovic@users.noreply.github.com> Date: Sun, 1 Mar 2020 19:54:41 +0100 Subject: Update README.md --- README.md | 9 ++++++++- 1 file changed, 8 insertions(+), 1 deletion(-) (limited to 'README.md') diff --git a/README.md b/README.md index 3e02f7f..5bb5cd1 100644 --- a/README.md +++ b/README.md @@ -1 +1,8 @@ -# competition \ No newline at end of file +# competition +competition_result(1) is main fail with resukts were all the method is described +6lu7cov.pdb is pdb structure of coronavirus protease without binding small molecule +ChEBI_28572.sdf is sdf file of rescinnamine used for Pyrx docking +rescinnamine_binding_affinities_pyrx.sdf and rescinnamine_pyrx_binding_affinity.csv are results of binding affinity energy between +coronavirus main protease and rescinnamine +sars_results.csv and mers_results.csv are results of drugs that could inhibit (negative connectivity score) and mimic (positive connectivity score) coronavirus infection +HCoV_EMC2012_24Hour_23631916_GSE45042.csv and icSARS_Cov_Day7_None_GSE50000.csv are data used for main CMap analysis -- cgit v1.2.3