Evaluation of Docking Machine Learning and Molecular Dynamics Methodologies for DNA-Ligand Systems

DNA is a molecular target for the treatment of several diseases, including cancer, but there are few docking methodologies exploring the interactions between nucleic acids with DNA intercalating agents. Different docking methodologies, such as AutoDock Vina, DOCK 6, and Consensus, implemented into M...

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Detalles Bibliográficos
Autores principales: de Oliveira, Tiago Alves, Medaglia, Lucas Rolim, Maia, Eduardo Habib Bechelane, Assis, Letícia Cristina, de Carvalho, Paulo Batista, da Silva, Alisson Marques, Taranto, Alex Gutterres
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2022
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8874395/
https://www.ncbi.nlm.nih.gov/pubmed/35215245
http://dx.doi.org/10.3390/ph15020132

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8874395/
https://www.ncbi.nlm.nih.gov/pubmed/35215245
http://dx.doi.org/10.3390/ph15020132

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