Solvent Sites Improve Docking Performance of Protein-Protein Complexes and Protein-Protein Interface-Targeted Drugs.
Gonzalo F. MayolLucas A. DefelipeJuan Pablo ArconAdrian Gustavo TurjanskiMarcelo A. MartiPublished in: J. Chem. Inf. Model. (2022)
Keyphrases
- protein protein
- protein complexes
- protein protein interactions
- drug design
- predicting protein
- computational methods
- interaction networks
- protein sequences
- protein function
- protein interaction networks
- protein interaction data
- protein interaction
- high throughput
- computational approaches
- protein structure
- functional modules
- biological processes
- computational biology
- binding sites
- cellular processes
- genomic data
- protein protein interaction networks
- ppi networks
- experimentally determined
- molecular biology
- network topology
- gene ontology
- biomedical literature
- biological data
- information flow
- network analysis
- amino acids
- protein function prediction
- mass spectrometry
- machine learning