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-# competition
-covid_2019_competition_results.ipynb is main document with results were all the method is described
+# Possible Drugs for Combating COVID-19
+The base code is a fork of Tinka Vidovic's submission for Sage Health Competition
-6lu7cov.pdb is pdb structure of coronavirus protease without small molecule or drug that was bind to this protease
+The main notebook is a colab compatible Juypter notebook used to find possible drugs which can inhibit COVID-19. 10 each from mers and sars CMAP analysis were taken and the duplicates were removed.
+This gave us a list of 14 possible drugs
-ChEBI_39867 (1).sdf is sdf file of valproic acid used for Pyrx docking (Vina search space set to maximum)
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-valproic_acid_binding_energy.sdf and valproic_acid_inding_energy.csv are results of binding affinity energy between
-coronavirus main protease and valproic acid
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-sars_results.csv and mers_results.csv are results of drugs that could inhibit (negative connectivity score) and mimic (positive
-connectivity score) coronavirus infection
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-HCoV_EMC2012_24Hour_23631916_GSE45042.csv and icSARS_Cov_Day7_None_GSE50000.csv are data used for main CMap analysis
+The respective SDF files for these ligands were then docked using PyRX and AutoDock Vina