Hydrogen placement in protein-ligand complexes under consideration of tautomerism.
Stefan BietzSascha UrbaczekMatthias RareyPublished in: J. Cheminformatics (2011)
Keyphrases
- protein complexes
- protein protein
- drug design
- virtual screening
- protein protein interactions
- drug discovery
- protein interaction data
- high throughput
- protein interaction networks
- protein function
- protein structure prediction
- protein sequences
- computational approaches
- ppi networks
- functional modules
- protein interaction
- amino acids
- computational methods
- similarity searching
- biological processes
- genomic data
- protein structure
- computational biology
- steady state
- interaction networks
- predicting protein
- subcellular localization
- protein protein interaction networks
- sequence alignment
- systems biology
- machine learning
- tandem mass spectra
- mass spectra
- biomedical literature
- binding sites
- secondary structure
- biological systems
- search algorithm