aboutsummaryrefslogtreecommitdiff
path: root/README.md
blob: 5bb5cd14d10a7c92cf5b700f44f4742b8cdf7422 (plain)
1
2
3
4
5
6
7
8
# 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