Development of 7TM receptor-ligand complex models using ligand-biased, semi-empirical helix-bundle repacking in torsion space: application to the agonist interaction of the human dopamine D2 receptor.
Marcus MaloRonnie PerssonPeder SvenssonKristina LuthmanLars BrivePublished in: J. Comput. Aided Mol. Des. (2013)
Keyphrases
- drug discovery
- complex systems
- human robot interaction
- computational models
- human interaction
- model driven
- case study
- semi markov
- software engineering
- user interaction
- behavioral data
- neural network
- signaling pathways
- analytical models
- computational modeling
- rapid prototyping
- empirical data
- statistical methods
- human computer interaction
- decision support
- probabilistic model
- search space
- decision making