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

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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Bibliographic Details
Main Authors:	Tiago Alves de Oliveira, Lucas Rolim Medaglia, Eduardo Habib Bechelane Maia, Letícia Cristina Assis, Paulo Batista de Carvalho, Alisson Marques da Silva, Alex Gutterres Taranto
Format:	Article
Language:	English
Published:	MDPI AG 2022-01-01
Series:	Pharmaceuticals
Subjects:	computer drug design molecular docking molecular dynamic simulation virtual screening MolAr DNA intercalating agents
Online Access:	https://www.mdpi.com/1424-8247/15/2/132

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