SAMPL7 protein-ligand challenge: A community-wide evaluation of computational methods against fragment screening and pose-prediction.
Harold GrosjeanMehtap IsikAnthony AimonDavid L. MobleyJohn D. ChoderaFrank von DelftPhilip C. BigginPublished in: J. Comput. Aided Mol. Des. (2022)
Keyphrases
- computational methods
- protein protein
- protein protein interactions
- protein interaction
- drug design
- protein function prediction
- drug discovery
- predicting protein
- protein function
- sequence similarity
- subcellular localization
- secondary structure
- computational approaches
- statistical methods
- virtual screening
- protein interaction data
- biological processes
- contact map
- computational tools
- functional modules
- data mining
- binding sites
- high throughput
- social networks
- protein interaction networks
- gene ontology
- gene expression