Mixed monte carlo/molecular dynamics simulations in explicit solvent.
André A. S. T. RibeiroRicardo B. de AlencastroPublished in: J. Comput. Chem. (2012)
Keyphrases
- monte carlo
- molecular dynamics simulations
- molecular dynamics
- markov chain
- monte carlo simulation
- importance sampling
- monte carlo tree search
- matrix inversion
- particle filter
- point processes
- global illumination
- monte carlo methods
- game tree
- markovian decision
- learning algorithm
- grid computing
- confidence intervals
- dynamic programming