Computational methods and tools for binding site recognition between proteins and small molecules: from classical geometrical approaches to modern machine learning strategies.
Gabriele MacariDaniele TotiFabio PolticelliPublished in: J. Comput. Aided Mol. Des. (2019)
Keyphrases
- computational methods
- learning strategies
- computational tools
- computational approaches
- protein protein
- protein interaction
- statistical methods
- protein protein interactions
- protein function
- active learning
- binding sites
- secondary structure
- data sets
- online learning
- biological processes
- functional modules
- protein complexes
- interaction networks
- sequence similarity
- high precision
- predicting protein