Calculations of protein-ligand binding entropy of relative and overall molecular motions.
Anatoly M. RuvinskyPublished in: J. Comput. Aided Mol. Des. (2007)
Keyphrases
- virtual screening
- drug design
- drug discovery
- protein protein
- similarity searching
- binding sites
- protein protein interactions
- protein structure prediction
- high throughput
- dna binding
- hiv protease
- molecular structures
- computational methods
- protein sequences
- interaction networks
- information theoretic
- image sequences
- mutual information
- molecular dynamics
- scoring function
- mass spectrometry
- information theory
- predicting protein
- protein structure
- sequence analysis
- similarity search
- transcriptional regulation
- dna sequences
- human motion
- video sequences
- transcription factor binding sites
- molecular biology
- biological data
- protein function prediction
- gene expression
- augmented reality