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Image Search Results
Journal: Briefings in Bioinformatics
Article Title: RmsdXNA: RMSD prediction of nucleic acid-ligand docking poses using machine-learning method
doi: 10.1093/bib/bbae166
Figure Lengend Snippet: Poses of the top 20 ligand selected by RmsdXNA and rDock from Chembridge and Life Chemicals screening libraries docked on 4PLX using rDock. Top-scored ligand poses selected by RmsdXNA tend to intercalate between the RNA residues. This is not observed for the top-scored ligands selected by rDock.
Article Snippet: In this VS example, rDock is utilized to generate 20 poses within a 20 Å target search box on the 3’ end of MALAT1 [ , ] (PDB ID: 4PLX) against two screening compound libraries, Hit2Lead (provided by Chembridge Corp. in San Diego, CA, USA, http://www.hit2lead.com ) and Life Chemicals
Techniques: