Comparative Assessment of Seven Docking Programs on a Nonredundant Metalloprotein Subset of the PDBbind Refined
Sign Up to like & getrecommendations! Published in 2019 at "Journal of chemical information and modeling"
DOI: 10.1021/acs.jcim.9b00346
Abstract: Extensive usage of molecular docking for computer-aided drug discovery resulted in development of numerous programs with versatile scoring and posing algorithms. Selection of the docking program among these vast number of options is central to… read more here.
Keywords: docking programs; subset pdbbind; pdbbind refined; metalloprotein subset ... See more keywords
Comparative Assessment of Docking Programs for Docking and Virtual Screening of Ribosomal Oxazolidinone Antibacterial Agents
Sign Up to like & getrecommendations! Published in 2023 at "Antibiotics"
DOI: 10.3390/antibiotics12030463
Abstract: Oxazolidinones are a broad-spectrum class of synthetic antibiotics that bind to the 50S ribosomal subunit of Gram-positive and Gram-negative bacteria. Many crystal structures of the ribosomes with oxazolidinone ligands have been reported in the literature,… read more here.
Keywords: oxazolidinone; virtual screening; dock; docking programs ... See more keywords