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

• Main Authors: Tiago Alves de Oliveira (Author), Lucas Rolim Medaglia (Author), Eduardo Habib Bechelane Maia (Author), Letícia Cristina Assis (Author), Paulo Batista de Carvalho (Author), Alisson Marques da Silva (Author), Alex Gutterres Taranto (Author)
• Format: Book
• Published: MDPI AG, 2022-01-01T00:00:00Z.
• Subjects: article
• Online Access: Connect to this object online.

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...