Could the presence of sodium ion influence the accuracy and precision of the ligand-posing in the human A2A adenosine receptor orthosteric binding site using a molecular docking approach? Insights from Dockbench.
Enrico MargiottaGiuseppe DeganuttiStefano MoroPublished in: J. Comput. Aided Mol. Des. (2018)
Keyphrases
- virtual screening
- drug discovery
- binding sites
- protein protein
- precision and recall
- high precision
- high throughput
- protein protein interactions
- similarity searching
- dna sequences
- statistical significance
- data mining
- drug design
- protein interaction
- protein sequences
- pairwise
- scoring function
- discovery process
- scientific data
- metric space
- early stage
- sample size
- similarity search
- high dimensional