MM/GBSA and LIE estimates of host-guest affinities: dependence on charges and solvation model.
Samuel GenhedenPublished in: J. Comput. Aided Mol. Des. (2011)
Keyphrases
- probabilistic model
- computational model
- image segmentation
- high level
- mathematical model
- formal model
- statistical model
- parameter estimation
- least squares
- conceptual model
- closed form
- experimental data
- process model
- database
- management system
- probability distribution
- cost function
- optical flow
- objective function
- information retrieval