Enhancing water sampling of buried binding sites using nonequilibrium candidate Monte Carlo.
Teresa Danielle BergazinIdo Y. Ben-ShalomNathan M. LimSam C. GillMichael K. GilsonDavid L. MobleyPublished in: J. Comput. Aided Mol. Des. (2021)
Keyphrases
- monte carlo
- binding sites
- dna sequences
- gene expression
- sequence data
- importance sampling
- transcription factors
- monte carlo simulation
- adaptive sampling
- markov chain
- motif discovery
- dna binding
- statistical significance
- markov chain monte carlo
- transcription factor binding sites
- monte carlo methods
- matrix inversion
- monte carlo tree search
- point processes
- markovian decision
- upper bound
- variance reduction
- random sampling
- sample size
- statistical analysis
- quasi monte carlo
- temporal difference
- co occurrence
- regulatory elements
- reinforcement learning