An optimum strategy for solution chemistry using semiempirical molecular orbital method. II. Primary importance of reproducing electrostatic interaction in the QM/MM framework.
Yoshiyuki KoyanoNorio TakenakaYukinori NakagawaMasataka NagaokaPublished in: J. Comput. Chem. (2010)
Keyphrases
- main contribution
- optimization method
- search strategy
- clustering method
- data sets
- pairwise
- fully automatic
- detection method
- three dimensional
- experimental evaluation
- probabilistic model
- high accuracy
- localization error
- bayesian framework
- segmentation algorithm
- feature set
- support vector machine
- evolutionary algorithm
- search algorithm
- optimal solution
- neural network