Concepedia

In silico drug repurposing for the identification of potential candidate molecules against arboviruses infection

Diana Montes‐Grajales, Henry Puerta‐Guardo, Diego A. Espinosa, Eva Harris, William Caicedo-Torres, Jesús Olivero‐Verbel, Esperanza Martı́nez-Romero

Antiviral Research · 2019 · 39 citations · 71 references

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Concepts

References

71

AutoDock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading

Oleg Trott, Arthur J. Olson · Journal of Computational Chemistry · 2009 · 35.1K citations · Full text

AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility

Garrett M. Morris, Ruth Huey, William Lindstrom et al. · Journal of Computational Chemistry · 2009 · 23.9K citations · Full text

Open Babel: An open chemical toolbox

Noel M. O’Boyle, Michael Banck, Craig A. James et al. · Journal of Cheminformatics · 2011 · 10.5K citations · Full text

Ligand docking and binding site analysis with PyMOL and Autodock/Vina

Daniel Seeliger, Bert L. de Groot · Journal of Computer-Aided Molecular Design · 2010 · 2.4K citations · Full text

DrugBank 4.0: shedding new light on drug metabolism

Vivian Law, Craig Knox, Yannick Djoumbou-Feunang et al. · Nucleic Acids Research · 2013 · 2K citations · Full text