Flexible docking simulations: Scaled collective variable Monte Carlo minimization approach using Bezier splines, and comparison with a standard Monte Carlo algorithm.
Jean-Yves TrossetHarold A. ScheragaPublished in: J. Comput. Chem. (1999)
Keyphrases
- monte carlo
- importance sampling
- simulation study
- markov chain
- monte carlo simulation
- monte carlo tree search
- stochastic approximation
- monte carlo methods
- optimal strategy
- objective function
- point processes
- adaptive sampling
- monte carlo method
- matrix inversion
- learning algorithm
- markovian decision
- variance reduction
- particle filter
- game tree
- confidence intervals
- policy evaluation
- model selection
- simulated annealing