Evaluation of SARS-CoV-2 main protease and inhibitor interactions using dihedral angle distributions and radial distribution function

In order to evaluate the interactions between a potential drug candidate like inhibitor N3 and the residues in substrate binding site of SARS-CoV-2 main protease ([Formula: see text]), we used molecular docking and dynamics simulations. The structural features describing the degrees of folding state...

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Detalles Bibliográficos
Autores principales: Lamichhane, Tika Ram, Ghimire, Madhav Prasad
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier 2021
Materias:
Research Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8525048/
https://www.ncbi.nlm.nih.gov/pubmed/34693066
http://dx.doi.org/10.1016/j.heliyon.2021.e08220

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