AutoDock and AutoDockTools for Protein-Ligand Docking: Beta-Site Amyloid Precursor Protein Cleaving Enzyme 1(BACE1) as a Case Study

AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility

Garrett M. Morris, Ruth Huey, William Lindstrom et al. · Journal of Computational Chemistry · 2009 · 25K citations · Full text

Pharmacy, Bioinformatics, Medicinal Chemistry +13

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

Stefano Forli, Ruth Huey, Michael E. Pique et al. · Nature Protocols · 2016 · 2.7K citations · Full text

Pharmacy, Bioinformatics, Medicinal Chemistry +16

Selective chemical probe inhibitor of Stat3, identified through structure-based virtual screening, induces antitumor activity

Khandaker Siddiquee, Shumin Zhang, Wayne C. Guida et al. · Proceedings of the National Academy of Sciences · 2007 · 743 citations · Full text

Life Sciences, Medicinal Chemistry, Pharmacology +14

Virtual Screening of Human 5-Aminoimidazole-4-carboxamide Ribonucleotide Transformylase against the NCI Diversity Set by Use of AutoDock to Identify Novel Nonfolate Inhibitors

Chenglong Li, Lan Xu, Dennis W. Wolan et al. · Journal of Medicinal Chemistry · 2004 · 63 citations · Full text

Pharmacy, Medicinal Chemistry, Pharmacology +16

Development of 2-aminooxazoline 3-azaxanthenes as orally efficacious β-secretase inhibitors for the potential treatment of Alzheimer’s disease

Jian Jeffrey Chen, Qingyian Liu, Chester Yuan et al. · Bioorganic & Medicinal Chemistry Letters · 2015 · 30 citations · Full text

Medicine, Medicinal Chemistry, Pharmacology +13