Coupling Protein Side-Chain and Backbone Flexibility Improves the Re-design of Protein-Ligand Specificity.
Noah OllikainenRené M. de JongTanja KortemmePublished in: PLoS Comput. Biol. (2015)
Keyphrases
- drug design
- protein sequences
- protein structure
- molecular dynamics
- virtual screening
- drug discovery
- protein protein
- sequence analysis
- building blocks
- engineering design
- amino acids
- predicting protein
- protein structure prediction
- computational methods
- design principles
- case study
- protein interaction data
- sequence alignment
- subcellular localization
- protein function
- protein folding
- data sets
- protein protein interactions
- user interface
- machine learning