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Discovery of Immunoproteasome Inhibitors Using Large-Scale Covalent Virtual Screening

Large-scale virtual screening of boronic acid derivatives was performed to identify nonpeptidic covalent inhibitors of the β5i subunit of the immunoproteasome. A hierarchical virtual screening cascade including noncovalent and covalent docking steps was applied to a virtual library of over 104,000 c...

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Detalhes bibliográficos
Publicado no:Molecules
Main Authors: Scarpino, Andrea, Bajusz, Dávid, Proj, Matic, Gobec, Martina, Sosič, Izidor, Gobec, Stanislav, Ferenczy, György G., Keserű, György M.
Formato: Artigo
Idioma:Inglês
Publicado em: MDPI 2019
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC6680723/
https://ncbi.nlm.nih.gov/pubmed/31315311
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/molecules24142590
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