Molecular modelling prediction of ligand binding site flexibility.
Ami Yi-Ching YangPer KällbladRicardo L. ManceraPublished in: J. Comput. Aided Mol. Des. (2004)
Keyphrases
- virtual screening
- binding sites
- protein protein
- drug discovery
- drug design
- similarity searching
- predicting protein
- protein protein interactions
- high throughput
- dna sequences
- protein interaction
- sequence data
- transcription factors
- scoring function
- computational methods
- biological systems
- protein sequences
- motif discovery
- interaction networks
- protein function
- metric space
- regulatory elements
- machine learning
- amino acid sequences
- protein structure prediction
- sample size
- similarity search
- co occurrence
- pairwise