Assessing protein-ligand docking for the binding of organometallic compounds to proteins.
Elisabeth Ortega-CarrascoAgustí LledósJean-Didier MaréchalPublished in: J. Comput. Chem. (2014)
Keyphrases
- dna binding
- ligand docking
- chemical compounds
- wet lab
- subcellular localization
- drug discovery
- amino acids
- protein function
- genome wide
- binding sites
- protein structure prediction
- amino acid sequences
- protein protein interactions
- protein structure
- protein sequences
- contact map
- protein interaction data
- protein interaction
- transcription factors
- predicting protein
- hiv protease
- gene expression
- physicochemical properties
- protein interaction networks
- contact maps
- protein folding
- protein functional
- biological processes
- protein structure alignment
- cell lines
- amino acid composition
- mhc class ii
- computational methods
- high throughput
- protein classification
- transcription factor binding sites
- mass spectrometry
- graph data
- biological networks
- protein families
- interaction networks
- protein protein interaction networks
- sequence analysis
- protein structural
- secondary structure
- molecular biology
- sequence data