Citations

AutoDock Vina

AutoDock Vina is a scientific software that is described in academics publications. Please cite these papers when you used AutoDock Vina in your work:

• Eberhardt, J., Santos-Martins, D., Tillack, A.F., Forli, S. (2021). AutoDock Vina 1.2.0: New Docking Methods, Expanded Force Field, and Python Bindings. Journal of Chemical Information and Modeling.

• Trott, O., & Olson, A. J. (2010). AutoDock Vina: improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading. Journal of computational chemistry, 31(2), 455-461.

Related publications

• Santos-Martins, D., Eberhardt, J., Bianco, G., Solis-Vasquez, L., Ambrosio, F. A., Koch, A., & Forli, S. (2019). D3R Grand Challenge 4: prospective pose prediction of BACE1 ligands with AutoDock-GPU. Journal of Computer-Aided Molecular Design, 33(12), 1071-1081.

• Forli, S., Huey, R., Pique, M. E., Sanner, M. F., Goodsell, D. S., & Olson, A. J. (2016). Computational protein–ligand docking and virtual drug screening with the AutoDock suite. Nature protocols, 11(5), 905-919.

• Santos-Martins, D., Forli, S., Ramos, M. J., & Olson, A. J. (2014). AutoDock4Zn: an improved AutoDock force field for small-molecule docking to zinc metalloproteins. Journal of chemical information and modeling, 54(8), 2371-2379.

• Forli, S., & Olson, A. J. (2012). A force field with discrete displaceable waters and desolvation entropy for hydrated ligand docking. Journal of medicinal chemistry, 55(2), 623-638.

• Forli, S., & Botta, M. (2007). Lennard-Jones potential and dummy atom settings to overcome the AUTODOCK limitation in treating flexible ring systems. Journal of chemical information and modeling, 47(4), 1481-1492.