Laguerre-Intersection Method for Implicit Solvation.
Michelle Hatch HummelBihua YuCarlos SimmerlingEvangelos A. CoutsiasPublished in: Int. J. Comput. Geom. Appl. (2018)
Keyphrases
- cost function
- computationally efficient
- high accuracy
- synthetic data
- high precision
- detection method
- clustering method
- mathematical model
- theoretical analysis
- computational cost
- experimental evaluation
- significant improvement
- objective function
- fully automatic
- optimization method
- machine learning
- intersection points
- classification method
- error rate
- input data
- computational complexity
- similarity measure