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Hierarchical virtual screening approaches in small molecule drug discovery
2015
Methods
Virtual screening has played a significant role in the discovery of small molecule inhibitors of therapeutic targets in last two decades. Various ligand and structure-based virtual screening approaches are employed to identify small molecule ligands for proteins of interest. These approaches are often combined in either hierarchical or parallel manner to take advantage of the strength and avoid the limitations associated with individual methods. Hierarchical combination of ligand and
doi:10.1016/j.ymeth.2014.07.007
pmid:25072167
pmcid:PMC7129923
fatcat:t5mu2qmh5ncz3gwu3k2wnfr3t4