Ligand-protein docking using a quantum stochastic tunneling optimization method.
Ricardo L. ManceraPer KällbladNikolay P. TodorovPublished in: J. Comput. Chem. (2004)
Keyphrases
- optimization method
- drug design
- virtual screening
- optimization algorithm
- optimization methods
- protein protein
- drug discovery
- optimization process
- evolutionary algorithm
- global optimum
- differential evolution
- genetic algorithm
- simulated annealing
- protein protein interactions
- protein sequences
- nonlinear optimization
- optimization procedure
- particle swarm
- protein structure prediction
- high throughput
- protein structure
- mass spectrometry
- optimization strategy
- quasi newton
- predicting protein
- protein complexes
- binding sites
- computational methods
- protein function
- particle swarm optimization
- secondary structure
- hybrid algorithm
- computational intelligence
- multi objective
- nelder mead simplex