Mapping protein pockets through their potential small-molecule binding volumes: QSCD applied to biological protein structures.
Keith MasonNehal M. PatelAric LedelCiamac Cyrus MoallemiEdward A. WintnerPublished in: J. Comput. Aided Mol. Des. (2004)
Keyphrases
- protein structure
- protein structure prediction
- molecular biology
- protein structure and function
- protein sequences
- amino acids
- contact map
- secondary structure
- drug discovery
- protein function
- amino acid sequences
- physico chemical
- protein protein
- computational approaches
- experimentally determined
- protein structure alignment
- protein tertiary structure
- protein folding
- protein functional
- graph theory
- biological data
- sequence similarity
- biological processes
- physicochemical properties
- computational biology
- protein structural
- graph databases