A new method to determine electrostatic potential around a macromolecule in solution from molecular wave functions.
Norio YoshidaFumio HirataPublished in: J. Comput. Chem. (2006)
Keyphrases
- synthetic data
- data sets
- preprocessing
- detection method
- optimization algorithm
- classification method
- computational cost
- segmentation method
- clustering method
- experimental evaluation
- significant improvement
- optimization method
- iterative procedure
- high accuracy
- level set
- mathematical model
- high precision
- closed form
- search procedure
- input data
- support vector machine
- cost function
- multiresolution
- evolutionary algorithm
- similarity measure
- genetic algorithm