PSnpBind: a database of mutated binding site protein-ligand complexes constructed using a multithreaded virtual screening workflow.
Ammar AmmarRachel CavillChris T. A. EveloEgon L. WillighagenPublished in: J. Cheminformatics (2022)
Keyphrases
- virtual screening
- chemical structures
- binding sites
- drug discovery
- similarity searching
- high throughput
- scoring function
- mass spectrometry
- gene expression
- similarity search
- transcription factors
- dna sequences
- sequence data
- access methods
- protein protein
- structure learning
- statistical tests
- data mining
- drug design
- database systems