Selection and flexible optimization of binding modes from conformation ensembles.
Aysam GürlerSebastian MollMarcus WeberHolger MeyerFrank CordesPublished in: Biosyst. (2008)
Keyphrases
- optimization algorithm
- neural network
- global optimization
- optimization problems
- optimization method
- constrained optimization
- optimization process
- ensemble selection
- discrete optimization
- fine tuning
- selection algorithm
- ensemble learning
- selection strategy
- learning algorithm
- machine learning
- optimization strategies
- optimal selection
- data sets