Computational protein–ligand docking and virtual drug screening with the AutoDock suite

Author:

Forli StefanoORCID,Huey Ruth,Pique Michael E,Sanner Michel F,Goodsell David S,Olson Arthur J

Publisher

Springer Science and Business Media LLC

Subject

General Biochemistry, Genetics and Molecular Biology

Reference28 articles.

1. Trott, O. & Olson, A.J. AutoDock Vina: improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading. J. Comput. Chem. 31, 455–461 (2010).

2. Goodsell, D.S. & Olson, A.J. Automated docking of substrates to proteins by simulated annealing. Proteins 8, 195–202 (1990).

3. Morris, G.M. et al. Automated docking using a Lamarckian genetic algorithm and an empirical binding free energy function. J. Comput. Chem. 19, 1639–1662 (1998).

4. Forli, S. Raccoon for Processing Virtual Screening < http://autodock.scripps.edu/resources/raccoon > (2013).

5. Morris, G.M. et al. AutoDock4 and AutoDockTools4: automated docking with selective receptor flexibility. J. Comput. Chem. 30, 2785–2791 (2009).

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