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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Detalhes bibliográficos
Publicado no:Toxins (Basel)
Main Authors: 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.
Formato: Artigo
Idioma:Inglês
Publicado em: MDPI 2020
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Article
Acesso em linha: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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