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Virtual screening with AutoDock: theory and practice
Expert Opinion on Drug Discovery, 2010 Importance of the field: Virtual screening is a computer-based technique for identifying promising compounds to bind to a target molecule of known structure.
David Goodsell +2 more
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Parallel implementation of AutoDock
Journal of Applied Crystallography, 2007 Computational docking of ligands to protein structures is a key step in structure-based drug design. Currently, the time required for each docking run is high and thus limits the use of docking in a high-throughput manner, warranting parallelization of ...
Nagasuma Chandra +2 more
exaly +1 more source
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Improving ligand-ranking of AutoDock Vina by changing the empirical parameters
Journal of Computational Chemistry, 2022Minh Quan Pham +2 more
exaly
Using AutoDock for Ligand-Receptor Docking
Current Protocols in Bioinformatics, 2008Arthur J Olson, Garrett M. Morris
exaly
Review: Performance evaluation of flexible macrocycle docking in AutoDock — R0/PR1
2022Andreas F. Tillack +2 more
exaly
Review: Performance evaluation of flexible macrocycle docking in AutoDock — R0/PR2
2022Andreas F. Tillack +2 more
exaly