Detailed analysis of grid-based molecular docking: A case study of CDOCKER - A CHARMm-based MD docking algorithm.
Guosheng WuDaniel H. RobertsonCharles L. Brooks IIIMichal ViethPublished in: J. Comput. Chem. (2003)
Keyphrases
- experimental evaluation
- cost function
- learning algorithm
- k means
- objective function
- similarity measure
- significant improvement
- worst case
- times faster
- classification algorithm
- preprocessing
- computationally efficient
- theoretical analysis
- high accuracy
- estimation algorithm
- optimization algorithm
- recognition algorithm
- improved algorithm
- computational cost
- dynamic programming
- data analysis
- probabilistic model
- particle swarm optimization
- search space
- computational complexity
- tree structure
- search algorithm
- data structure
- convergence rate
- case study
- neural network
- data sets