Self-organizing superimposition algorithm for conformational sampling.
Fangqiang ZhuDimitris K. AgrafiotisPublished in: J. Comput. Chem. (2007)
Keyphrases
- detection algorithm
- computational cost
- neural network
- times faster
- computational complexity
- optimization algorithm
- probabilistic model
- np hard
- dynamic programming
- sampling algorithm
- markov chain monte carlo
- classification algorithm
- theoretical analysis
- experimental evaluation
- cost function
- k means
- preprocessing
- objective function
- learning algorithm
- genetic algorithm
- high accuracy
- search space
- bayesian networks
- similarity measure