Automated Determination of Nuclear Magnetic Resonance Chemical Shift Perturbations in Ligand Screening Experiments: The PICASSO Web Server.
Vincenzo LavegliaAndrea GiachettiLinda CerofoliniKevin HaubrichMarco FragaiAlessio CiulliAntonio RosatoPublished in: J. Chem. Inf. Model. (2021)
Keyphrases
- web server
- nuclear magnetic resonance
- drug discovery
- chemical compounds
- nmr spectra
- virtual screening
- website
- early stage
- web search engines
- end users
- web pages
- scientific data
- discovery process
- mobile agents
- biological systems
- systems biology
- protein structure
- structural features
- knowledge discovery
- expert systems
- data mining