Mapping Ligand-Shape Space for Protein-Ligand Systems: Distinguishing Key-in-Lock and Hand-in-Glove Proteins.
Joanna ZarneckaIva LukacStephen J. MesshamAlhusein HussinFrancesco CoppolaSteven J. EnochAlexander G. DossetterEdward J. GriffenAndrew LeachPublished in: J. Chem. Inf. Model. (2021)
Keyphrases
- drug design
- protein protein
- protein protein interactions
- protein sequences
- protein structure prediction
- protein structure
- amino acids
- high throughput
- protein function
- shape space
- computational methods
- drug discovery
- amino acid sequences
- shape model
- shape analysis
- mass spectrometry
- optical flow
- interaction networks
- computer vision
- predicting protein
- object recognition
- biological systems
- geodesic distance
- shape representation
- multiscale