FragPELE: Dynamic Ligand Growing within a Binding Site. A Novel Tool for Hit-To-Lead Drug Design.
Carles PerezDaniel SolerRobert SolivaVictor GuallarPublished in: J. Chem. Inf. Model. (2020)
Keyphrases
- drug design
- protein protein
- binding sites
- protein protein interactions
- virtual screening
- drug discovery
- protein structure prediction
- quantitative structure activity
- protein sequences
- gene expression
- computational methods
- interaction networks
- predicting protein
- high throughput
- computational biology
- protein interaction
- biological processes
- protein structure
- statistically significant