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Rilian
Apr 9 2024, 20:51
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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

QUOTE
After doing initial studies on an established SARS-CoV-2 target RNA dependent RNA polymerase (RdRp), we are departing from protease studies and focus on RdRp along with additional NSP targets. Namely, RdRp (NSP12), is responsible for the transcription of viral genes and ultimately replication of the viral genome. The studied active site binds RNA and was previously studied in the context of remdesivir, galidesivir, molnupiravir and several other small molecules.


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Rilian
Apr 9 2024, 21:54
Пост #2


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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


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Rilian
Apr 17 2024, 17:49
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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)


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Rilian
Apr 30 2024, 23:12
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interstellar
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Група: Team member
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З нами з: 22-February 06
З: Торонто
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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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