Where we go from here
- Binding affinities ordering
- Inclusion of the polar environment in the energy of the complex.
- Better charges for ligands.
- Structural changes upon binding
- Optimization of the complex with movable receptor.
- Inclusion of G-protein.
- Suggest odor molecule that could be tested experimentally.
- Modeling and docking of other ORs from the series studied by the Harvard team.