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Ligand-Based Virtual Screening, Molecular Docking, Molecular Dynamics, and MM-PBSA Calculations towards the Identification of Potential Novel Ricin Inhibitors

Ricin is a toxin found in the castor seeds and listed as a chemical weapon by the Chemical Weapons Convention (CWC) due to its high toxicity combined with the easiness of obtention and lack of available antidotes. The relatively frequent episodes of usage or attempting to use ricin in terrorist atta...

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Библиографические подробности
Опубликовано в: :Toxins (Basel)
Главные авторы: Botelho, Fernanda D., dos Santos, Marcelo C., Gonçalves, Arlan da S., Kuca, Kamil, Valis, Martin, LaPlante, Steven R., França, Tanos C. C., de Almeida, Joyce S. F. D.
Формат: Artigo
Язык:Inglês
Опубликовано: MDPI 2020
Предметы:
Online-ссылка:https://ncbi.nlm.nih.gov/pmc/articles/PMC7761309/
https://ncbi.nlm.nih.gov/pubmed/33256167
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/toxins12120746
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