The hydrogen perturbation in molecular connectivity computations.
Lionello PoglianiPublished in: J. Comput. Chem. (2006)
Keyphrases
- steady state
- perturbation method
- network connectivity
- three dimensional
- databases
- brain connectivity
- dna computing
- machine learning
- database
- real world
- molecular structures
- multiscale
- sensor networks
- augmented reality
- computer vision
- connected components
- drug discovery
- molecular dynamics
- molecular level
- neural network
- molecular interactions