Structure- and Ligand-Based Virtual Screening on DUD-E+: Performance Dependence on Approximations to the Binding Pocket
Sign Up to like & getrecommendations! Published in 2020 at "Journal of chemical information and modeling"
DOI: 10.1021/acs.jcim.0c00115
Abstract: Using the DUD-E+ benchmark, we explore the impact of using a single protein pocket or ligand for virtual screening compared with using ensembles of alternative pockets, ligands, and sets thereof. For both structure-based and ligand-based… read more here.
Keywords: dud; ligand based; performance; structure ... See more keywords
Social genetic effects for drug use disorder among spouses.
Sign Up to like & getrecommendations! Published in 2022 at "Addiction"
DOI: 10.1111/add.16108
Abstract: AIMS Preclinical and human studies suggest that a social partner's genotype may be associated with addiction-related outcomes. This study measured whether spousal genetic makeup is associated with risk of developing drug use disorder (DUD) during… read more here.
Keywords: dud; fgrs dud; drug use; risk ... See more keywords