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

• Главные авторы: Tiago Alves de Oliveira (Автор), Lucas Rolim Medaglia (Автор), Eduardo Habib Bechelane Maia (Автор), Letícia Cristina Assis (Автор), Paulo Batista de Carvalho (Автор), Alisson Marques da Silva (Автор), Alex Gutterres Taranto (Автор)
• Формат: ‌
• Опубликовано: MDPI AG, 2022-01-01T00:00:00Z.
• Предметы: article
• Online-ссылка: 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...