AutoDock-SS: AutoDock for Multiconformational Ligand-Based Virtual Screening
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DOI: 10.1021/acs.jcim.4c00136
Abstract: Ligand-based virtual screening (LBVS) can be pivotal for identifying potential drug leads, especially when the target protein’s structure is unknown. However, current LBVS methods are limited in their ability to consider the ligand conformational flexibility.… read more here.
Keywords: ligand based; lbvs; based virtual; virtual screening ... See more keywords