A new method for the gradient-based optimization of molecular complexes.
Jan FuhrmannAlexander RurainskiHans-Peter LenhofDirk NeumannPublished in: J. Comput. Chem. (2009)
Keyphrases
- optimization method
- optimization process
- optimization procedure
- constrained optimization
- objective function
- preprocessing
- experimental evaluation
- optimization algorithm
- significant improvement
- cost function
- data sets
- high accuracy
- computational cost
- detection method
- theoretical analysis
- dynamic programming
- segmentation method
- fully automatic
- multiresolution
- pairwise
- similarity measure