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• W3209554085 endingPage "847" @default.
• W3209554085 startingPage "838" @default.
• W3209554085 abstract "Nucleic acid (NA)-ligand interactions have crucial roles in many cellular processes and, thus, are increasingly attracting therapeutic interest in drug discovery. Molecular docking is a valuable tool for studying molecular interactions. However, because NAs differ significantly from proteins in both their physical and chemical properties, traditional docking algorithms and scoring functions for protein-ligand interactions might not be applicable to NA-ligand docking. Therefore, various sampling strategies and scoring functions for NA-ligand interactions have been developed. Here, we review the basic principles and current status of docking algorithms and scoring functions for DNA/RNA-ligand interactions. We also discuss challenges and limitations of current docking and scoring approaches." @default.
• W3209554085 created "2021-11-08" @default.
• W3209554085 creator A5042198599 @default.
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• W3209554085 creator A5053305024 @default.
• W3209554085 creator A5059824731 @default.
• W3209554085 creator A5062764236 @default.
• W3209554085 date "2022-03-01" @default.
• W3209554085 modified "2023-10-16" @default.
• W3209554085 title "Docking and scoring for nucleic acid–ligand interactions: Principles and current status" @default.
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