OR/MF3: a molecular dynamics mean field model of OR responses

11/18/99


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Table of Contents

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

Key Olfaction Facts

Single odorants recognized by multiple ORs

Single odorants recognized by multiple ORs

Low specificity (a19<< amean)

Similar structures but different odors

OR/MF3 Model Limitations

S19 two site model

Conclusions

Conclusions

Future Work

Acknowledgements

Author: Mario Blanco

Email: mario@wag.caltech.edu

Home Page: http://www.wag.caltech.edu/home-pages/mario/