Fast automated placement of polar hydrogen atoms in protein-ligand complexes.
Tobias LippertMatthias RareyPublished in: J. Cheminformatics (2009)
Keyphrases
- protein complexes
- protein protein
- drug design
- virtual screening
- drug discovery
- semi automated
- protein protein interactions
- logic programs
- linear combination
- amino acids
- protein structure prediction
- fully automated
- steady state
- functional modules
- protein structure
- fourier transform
- sequence data
- rotation invariant
- computational methods
- protein interaction
- protein protein interaction networks
- molecular structures