The Free Energy Profile of Tubulin Straight-Bent Conformational Changes, with Implications for Microtubule Assembly and Drug Discovery.
Lili X. PengMonica T. HsuMassimiliano BonomiDavid A. AgardMatthew P. JacobsonPublished in: PLoS Comput. Biol. (2014)
Keyphrases
- drug discovery
- free energy
- belief propagation
- virtual screening
- competitive learning
- pharmaceutical industry
- upper bound
- fixed point
- approximate inference
- scientific data
- posterior distribution
- graphical models
- systems biology
- message passing
- biological systems
- early stage
- data mining
- energy minimization
- knowledge discovery
- bayesian inference
- neural network
- data mining tools
- latent variables
- stereo matching
- data analysis
- support vector