Docking Conformationally Flexible Small Molecules into a Protein Binding Site through Evolutionary Programming.
Daniel K. GehlhaarGennady VerkhivkerPaul A. RejtoDavid B. FogelLawrence J. FogelStephan T. FreerPublished in: Evolutionary Programming (1995)
Keyphrases
- virtual screening
- evolutionary programming
- binding sites
- drug discovery
- similarity searching
- artificial immune system
- step size
- global optimization
- particle swarm optimization
- protein protein
- differential evolution
- scoring function
- evolution strategy
- regulatory elements
- sequence data
- transcription factors
- protein structure
- protein interaction
- high throughput
- dna binding
- gene expression
- neural network
- particle swarm optimization algorithm
- dna sequences
- evolutionary process
- transcription factor binding sites
- similarity search
- evolutionary algorithm