OR/MF3: a molecular dynamics mean field model of OR responses
Outline
Structural vs Mean Field Olfactory Recognition
Key Olfaction Facts
Experimental Recognition Profiles of 14 ORs
Molecular Dynamics
Mean Field MD Condensed Phase Simulations
MD Mean Field Energetics (MF3)
Odorants in MF3 Space
OR/MF3 Model
MF3 Olfactory Space
Odorant/Receptor Interactions
Receptor/Receptor Interactions Orthogonal
Receptor/Receptor Interactions Overlapping
Receptor Classification
OR/MF3 Classes
Receptors in MF3 Space
Model vs Experimental Data Simple Profiles
Mesa & Bimodal Profiles
Multimodal Profiles
Single odorants recognized by multiple ORs
Low specificity (a19<< amean)
Similar structures but different odors
OR/MF3 Model Limitations
S19 two site model
Conclusions
Future Work
Acknowledgements
Email: mario@wag.caltech.edu
Home Page: http://www.wag.caltech.edu/home-pages/mario/