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UntitResults of docking of aminothioureas at the SARS-CoV-2 S-protein – human ACE2 interfaceled Item

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Version 2 2021-08-24, 16:46
Version 1 2021-05-25, 11:57
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posted on 2021-05-25, 11:57 authored by Piotr PanethPiotr Paneth, Monika Rola, Jakub Krassowski, Julita Górska, Anna Grobelna, Wojciech Płonka, Agata Paneth

1. Structures (in smiles format), and FlexX, Vina, HYDE, and ChemPLP docking scores of docking 1820 aminothioureas to the SARS-CoV-2 S-protein – human ACE2 interface

Funding

supported in part by the Foundation for Polish Science via the grant MAB PLUS/2019/11.

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    Keywords

    dockingCovid-19S-proteinACE2interfaceCheminformatics

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    CC BY 4.0

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