Ligand shape emerges in solvent dipole ordering region at ligand binding site of protein.
Katsumi MurataNaoya NagataIsao NakanishiKazuo KitauraPublished in: J. Comput. Chem. (2010)
Keyphrases
- virtual screening
- protein protein
- binding sites
- protein protein interactions
- drug discovery
- computational methods
- high throughput
- similarity searching
- protein sequences
- predicting protein
- dna binding
- interaction networks
- drug design
- protein structure
- gene expression
- molecular biology
- transcription factors
- protein function
- sequence alignment
- scoring function
- dna sequences
- microarray
- protein complexes
- sequence data
- similarity search
- regulatory elements
- motif discovery
- secondary structure
- computational biology
- early stage