Predicting binding poses and affinities for protein - ligand complexes in the 2015 D3R Grand Challenge using a physical model with a statistical parameter estimation.
Sergei GrudininMaria KadukovaAndreas EisenbarthSimon MarilletFrédéric CazalsPublished in: J. Comput. Aided Mol. Des. (2016)
Keyphrases
- parameter estimation
- statistical models
- em algorithm
- maximum likelihood
- random fields
- parameter values
- markov random field
- model selection
- least squares
- grand challenge
- parameter estimation algorithm
- model fitting
- statistical model
- maximum likelihood estimation
- structure learning
- approximate inference
- statistical methods
- experimental data
- parameters estimation