A Preformed Binding Interface in the Unbound Ensemble of an Intrinsically Disordered Protein: Evidence from Molecular Simulations.
Michael KnottRobert B. BestPublished in: PLoS Comput. Biol. (2012)
Keyphrases
- molecular dynamics
- molecular dynamics simulations
- molecular structures
- amino acids
- protein sequences
- protein structure prediction
- hiv protease
- protein folding
- protein structure
- drug design
- drug discovery
- protein function
- sequence analysis
- virtual screening
- amino acid sequences
- interaction networks
- experimentally determined
- dna binding
- intrinsically disordered
- protein protein
- coarse grained
- signaling pathways
- machine learning
- protein protein interactions
- computational biology
- graph theory
- feature selection