Scoring Ensembles of Docked Protein: Ligand Interactions for Virtual Lead Optimization.
Janet L. PaulsenAmy C. AndersonPublished in: J. Chem. Inf. Model. (2009)
Keyphrases
- protein protein
- drug design
- protein protein interactions
- optimization algorithm
- interaction networks
- drug discovery
- protein structure
- virtual environment
- virtual screening
- protein sequences
- computational methods
- optimization process
- protein interaction
- protein function
- predicting protein
- virtual world
- dna binding
- ensemble learning
- binding sites
- high throughput
- mass spectrometry
- optimization method
- augmented reality
- genetic algorithm
- scoring model