Evaluation of Several Two-Step Scoring Functions Based on Linear Interaction Energy, Effective Ligand Size, and Empirical Pair Potentials for Prediction of Protein-Ligand Binding Geometry and Free Energy.
Obaidur RahamanTrilce EstradaDouglas J. DorenMichela TauferCharles L. Brooks IIIRoger S. ArmenPublished in: J. Chem. Inf. Model. (2011)
Keyphrases
- drug design
- free energy
- scoring functions
- protein structure prediction
- drug discovery
- protein interaction
- protein protein interactions
- protein sequences
- machine learning
- upper bound
- high throughput
- generalized belief propagation
- scoring function
- protein structure
- higher order
- probability distribution
- information retrieval