Ligand Binding Site Identification by Higher Dimension Molecular Dynamics.
Achani K. YatawaraMilan HodoscekDale F. MierkePublished in: J. Chem. Inf. Model. (2013)
Keyphrases
- binding sites
- molecular dynamics
- virtual screening
- protein protein
- gene expression
- sequence data
- dna sequences
- transcription factors
- high performance computing
- statistical significance
- molecular dynamics simulations
- scientific data
- protein folding
- predicting protein
- high throughput
- protein protein interactions
- data generation
- computational methods
- protein structure
- protein sequences
- drug discovery
- protein interaction
- mass spectrometry
- interaction networks
- microarray
- building blocks
- databases