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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Bibliographic Details
Main Authors: Fernanda D. Botelho, Marcelo C. dos Santos, Arlan da S. Gonçalves, Kamil Kuca, Martin Valis, Steven R. LaPlante, Tanos C. C. França, Joyce S. F. D. de Almeida
Format: Article
Language:English
Published: MDPI AG 2020-11-01
Series:Toxins
Subjects:
Online Access:https://www.mdpi.com/2072-6651/12/12/746