The MPSim-Dock hierarchical docking algorithm: Application to the eight trypsin inhibitor cocrystals.
Art E. ChoJohn A. WendelNagarajan VaidehiPeter M. Kekenes-HuskeyWely B. FlorianoPrabal K. MaitiWilliam A. Goddard IIIPublished in: J. Comput. Chem. (2005)
Keyphrases
- data sets
- times faster
- computational cost
- neural network
- optimization algorithm
- preprocessing
- significant improvement
- cost function
- dynamic programming
- convergence rate
- np hard
- experimental evaluation
- hierarchical clustering
- improved algorithm
- linear programming
- expectation maximization
- theoretical analysis
- ant colony optimization
- clustering method
- binary tree
- computationally efficient
- particle swarm optimization
- simulated annealing
- high accuracy
- multiresolution
- search algorithm
- objective function