The good, the bad and the twisted: a survey of ligand geometry in protein crystal structures.
John W. LiebeschuetzJana HennemannTjelvar S. G. OlssonColin R. GroomPublished in: J. Comput. Aided Mol. Des. (2012)
Keyphrases
- drug design
- drug discovery
- virtual screening
- protein protein
- chemical compounds
- protein protein interactions
- three dimensional
- protein sequences
- subcellular localization
- computational methods
- structural motifs
- experimentally determined
- dead end
- binding sites
- complex structures
- geometric constraints
- protein structure
- high throughput