SiDock@home
https://www.sidock.si/sidock/team_display.php?teamid=91 - сторінка команди Ukraine
SiDock@home is an international volunteer computing project aimed at drug discovery.
In our project, we are looking for ligands – small molecules that can successfully bind to protein targets and modulate a specific process that is crucial for the virus biochemistry. Based on molecular docking, the ideal ligand should be complementary in shape and properties to the binding site of the target biomolecule. However, the complementarity of small molecules is only one prerequisite for the use of a molecule as a drug.
Зараз проект рахує SARS-CoV-2 target RNA dependent RNA polymerase (RdRp)
https://www.sidock.si/sidock/forum_thread.php?id=229#1813
Research progress
Target 11: corona_Sprot_delta_v1 (%) 43.585
Target 22: corona_RdRp_v2 (%) 79.845
Completed targets: corona_3CLpro_v3, corona_PLpro_v1, corona_PLpro_v2, corona_RdRp_v1, corona_Eprot_v1, corona_3CLpro_v4, corona_3CLpro_v5, corona_3CLpro_v6, corona_3CLpro_v7, corona_3CLpro_v8, corona_NSP14_MTase, corona_PLpro_v3, corona_PLpro_v4, corona_NSP14_7n0d_7n0b, corona_NSP16_v1, corona_Eprot_v2, corona_Eprot_v3, corona_NSP13_v1, corona_DHODH_v1, corona_TMPRSS2_v1
Research progress
Target 11: corona_Sprot_delta_v1 (%) 43.725 (+0.14 за 8 днів)
Target 22: corona_RdRp_v2 (%) 81.169 (+1.324 за 8 днів)
Target 11: corona_Sprot_delta_v1 (%) 43.965 (+0.24 за 13 днів)
Target 22: corona_RdRp_v2 (%) 83.085 (+1.916 за 13 днів)
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