Structural Stability Predicts the Binding Mode of Protein-Ligand Complexes.
Maciej MajewskiXavier BarrilPublished in: J. Chem. Inf. Model. (2020)
Keyphrases
- protein complexes
- protein protein
- drug design
- protein protein interactions
- virtual screening
- dna binding
- binding sites
- drug discovery
- protein interaction
- protein sequences
- experimentally determined
- protein structure
- high throughput
- hiv protease
- protein interaction data
- predicting protein
- protein protein interaction networks
- structural information
- protein interaction networks
- biological processes
- amino acids
- protein structure prediction
- stability analysis
- computational methods
- protein function
- protein folding
- ppi networks
- mass spectrometry
- molecular dynamics
- protein structural
- functional modules
- subcellular localization
- structural similarities
- computational biology
- sequence similarity
- similarity searching
- structural features
- transcription factors