Molecular dynamics simulations of ligand-induced backbone conformational changes in the binding site of the periplasmic lysine-, arginine-, ornithine-binding protein.
Ami Yi-Ching YangRicardo L. ManceraPublished in: J. Comput. Aided Mol. Des. (2008)
Keyphrases
- binding sites
- dna binding
- molecular dynamics simulations
- protein protein
- hiv protease
- protein protein interactions
- molecular dynamics
- virtual screening
- protein folding
- transcription factor binding sites
- transcription factors
- dna sequences
- gene expression
- experimentally determined
- sequence data
- protein sequences
- computational methods
- high throughput
- coarse grained
- drug discovery
- motif discovery
- cis regulatory
- gene ontology
- predicting protein
- drug design
- protein function
- biological processes
- protein structure
- similarity searching
- statistical significance
- protein complexes
- fine grained
- protein interaction
- regulatory elements
- high performance computing
- network analysis
- network topology
- functional modules
- protein structure prediction
- amino acids
- microarray
- computational approaches
- regulatory networks
- biological networks
- secondary structure
- high precision