Learnt representations of proteins can be used for accurate prediction of small molecule binding sites on experimentally determined and predicted protein structures.
Anna CarberyMartin ButtenschoenRachael SkynerFrank von DelftCharlotte M. DeanePublished in: J. Cheminformatics (2024)
Keyphrases
- experimentally determined
- protein protein
- binding sites
- protein structure
- protein protein interactions
- protein function
- protein sequences
- gene expression
- protein interaction
- computational methods
- predicting protein
- interaction networks
- high throughput
- dna sequences
- sequence data
- secondary structure
- transcription factors
- amino acids
- protein complexes
- drug design
- amino acid sequences
- dna binding
- sequence alignment
- molecular biology
- statistical significance
- motif discovery
- protein tertiary structure
- biological processes
- protein families
- network topology
- intrinsically disordered
- microarray
- high precision