Automated docking using a Lamarckian genetic algorithm and an empirical binding free energy function.
Garrett M. MorrisDavid S. GoodsellRobert S. HallidayRuth HueyWilliam E. HartRichard K. BelewArthur J. OlsonPublished in: J. Comput. Chem. (1998)
Keyphrases
- energy function
- genetic algorithm
- energy minimization
- graph cuts
- markov random field
- global minimum
- active contours
- image segmentation
- shape model
- image intensity
- level set
- segmentation method
- regularization term
- belief propagation
- shape prior
- hopfield neural network
- memetic algorithm
- tabu search
- neural network
- maximum a posteriori
- simulated annealing
- energy functional
- problems in computer vision
- metaheuristic
- artificial neural networks
- regularization framework
- reconstruction process
- optimization method