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@@ -1,8 +1,21 @@ # competition competition_result(1) is main fail with results 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 + + +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 |